2-[3-[(Z)-[4,6-bis(oxidanylidene)-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[3-[(Z)-[4,6-bis(oxidanylidene)-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[3-[(Z)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[3-[(Z)-(4,6-dioxo-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[3-[(Z)-(4,6-dioxo-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[3-[(Z)-(4,6-diketo-1-phenyl-3-propyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C29H28N4O2S2 MolecularWeight: 528.68822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C(=O)N(C1=S)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)/C(=O)N(C1=S)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S2/c1-4-14-31-26(34)23(27(35)33(29(31)36)21-10-6-5-7-11-21)16-20-15-18(2)32(19(20)3)28-24(17-30)22-12-8-9-13-25(22)37-28/h5-7,10-11,15-16H,4,8-9,12-14H2,1-3H3/b23-16-