3-methyl-2-[2-(4-phenylphenyl)ethanoylamino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide

Systemtic Name: 3-methyl-2-[2-(4-phenylphenyl)ethanoylamino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Openeye Name: 3-methyl-2-[[2-(4-phenylphenyl)acetyl]amino]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butanamide CAS Name: 3-methyl-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide IUPAC Name: 3-methyl-2-[[2-(4-phenylphenyl)acetyl]amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Traditional Name: 3-methyl-2-[[2-(4-phenylphenyl)acetyl]amino]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butyramide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-13(2)18(19(27)23-20-24-25-21(28)29-20)22-17(26)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,22,26)(H,25,28)(H,23,24,27)