N-(3,5-dimethoxyphenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(3,5-dimethoxyphenyl)benzamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(3,5-dimethoxyphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(3,5-dimethoxyphenyl)benzamide Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O3S3/c1-29-20-12-18(13-21(14-20)30-2)25-22(28)17-8-10-19(11-9-17)27-24(31)33-23(26-27)32-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,28)