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

Systemtic Name: (2S)-N-butyl-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-N-butyl-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-N-butyl-3-(4-nitrophenyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanamide IUPAC Name: (2S)-N-butyl-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-N-butyl-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4S2/c1-2-3-8-17-13(23)12(9-10-4-6-11(7-5-10)22(25)26)18-14(24)19-15-20-21-16(27)28-15/h4-7,12H,2-3,8-9H2,1H3,(H,17,23)(H,21,27)(H2,18,19,20,24)/t12-/m0/s1