N-(2-methyl-6-propan-2-yl-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-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-(2-isopropyl-6-methyl-phenyl)benzamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-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-(2-methyl-6-propan-2-ylphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(2-isopropyl-6-methyl-phenyl)benzamide Formula: C26H25N3OS3 MolecularWeight: 491.6912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS3/c1-17(2)22-11-7-8-18(3)23(22)27-24(30)20-12-14-21(15-13-20)29-26(31)33-25(28-29)32-16-19-9-5-4-6-10-19/h4-15,17H,16H2,1-3H3,(H,27,30)