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

Systemtic Name: (2S)-3-(4-nitrophenyl)-N-phenethyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-3-(4-nitrophenyl)-N-phenethyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-3-(4-nitrophenyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-N-phenethylpropanamide IUPAC Name: (2S)-3-(4-nitrophenyl)-N-phenethyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-3-(4-nitrophenyl)-N-phenethyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C20H20N6O4S2 MolecularWeight: 472.5406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C20H20N6O4S2/c27-17(21-11-10-13-4-2-1-3-5-13)16(12-14-6-8-15(9-7-14)26(29)30)22-18(28)23-19-24-25-20(31)32-19/h1-9,16H,10-12H2,(H,21,27)(H,25,31)(H2,22,23,24,28)/t16-/m0/s1