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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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