4-[[5-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-[[2-oxo-2-(propylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-[[2-keto-2-(propylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S3/c1-2-12-22-18(26)14-29-21-25-24-20(30-21)28-13-15-8-10-16(11-9-15)19(27)23-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,27)