4-(4-butylphenyl)sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C25H29N3O4S2/c1-3-4-5-19-6-9-21(10-7-19)34(30,31)28-14-12-27(13-15-28)25(33)26-20-8-11-22-18(2)16-24(29)32-23(22)17-20/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,26,33)