N-methyl-3-(phenylmethylsulfanyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide

Systemtic Name: N-methyl-3-(phenylmethylsulfanyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: 3-benzylsulfanyl-N-methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: N-methyl-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: 3-(benzylthio)-N-methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C14H17N5O2S3 MolecularWeight: 383.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S3/c1-15-11(20)10(8-23-7-9-5-3-2-4-6-9)16-12(21)17-13-18-19-14(22)24-13/h2-6,10H,7-8H2,1H3,(H,15,20)(H,19,22)(H2,16,17,18,21)