2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: 2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-[anilino(oxo)methyl]propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C14H15N5O3S3 MolecularWeight: 397.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C14H15N5O3S3/c1-8(24-14-19-18-13(25-14)23-7-10(15)20)11(21)17-12(22)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,20)(H2,16,17,21,22)