(2S)-N-methyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanamide

Systemtic Name: (2S)-N-methyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanamide Openeye Name: (2S)-N-methyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanamide CAS Name: (2S)-N-methyl-3-phenyl-2-[[sulfanylidene-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanamide IUPAC Name: (2S)-N-methyl-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanamide Traditional Name: (2S)-N-methyl-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiocarbamoylamino]propionamide Formula: C13H15N5OS3 MolecularWeight: 353.4861

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NNC(=S)S2

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=S)NC2=NNC(=S)S2

InChI

InChI=1S/C13H15N5OS3/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1