(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-(methylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-(methylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-benzylsulfanyl-2-(methylamino)propanoate CAS Name: 2-(methylamino)-3-(phenylmethylthio)propanoic acid [oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl] ester IUPAC Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-benzylsulfanyl-2-(methylamino)propanoate Traditional Name: 3-(benzylthio)-2-(methylamino)propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C14H16N4O3S3 MolecularWeight: 384.49684

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CSCC1=CC=CC=C1)C(=O)OC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CNC(CSCC1=CC=CC=C1)C(=O)OC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C14H16N4O3S3/c1-15-10(8-23-7-9-5-3-2-4-6-9)11(19)21-13(20)16-12-17-18-14(22)24-12/h2-6,10,15H,7-8H2,1H3,(H,18,22)(H,16,17,20)