N-[6-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide CAS Name: N-[6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H29N3O2S2/c1-18-9-10-20-22(16-18)33-25(27-24(30)21-8-5-15-32-21)23(20)26(31)29-13-11-28(12-14-29)17-19-6-3-2-4-7-19/h2-8,15,18H,9-14,16-17H2,1H3,(H,27,30)