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

Systemtic Name: N-methyl-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: N-methyl-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: N-methyl-3-(4-nitrophenyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanamide IUPAC Name: N-methyl-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: N-methyl-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C13H14N6O4S2 MolecularWeight: 382.41806

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C13H14N6O4S2/c1-14-10(20)9(6-7-2-4-8(5-3-7)19(22)23)15-11(21)16-12-17-18-13(24)25-12/h2-5,9H,6H2,1H3,(H,14,20)(H,18,24)(H2,15,16,17,21)