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

Systemtic Name: N-(3-methylbutan-2-yl)-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-(1,2-dimethylpropyl)benzamide CAS Name: N-(3-methylbutan-2-yl)-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-methylbutan-2-yl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(1,2-dimethylpropyl)benzamide Formula: C21H23N3OS3 MolecularWeight: 429.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)NC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS3/c1-14(2)15(3)22-19(25)17-9-11-18(12-10-17)24-21(26)28-20(23-24)27-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)