1-[3-(4-nitrophenyl)propanoylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-(4-nitrophenyl)propanoylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-(4-nitrophenyl)propanoylamino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[[3-(4-nitrophenyl)-1-oxopropyl]amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-(4-nitrophenyl)propanoylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[3-(4-nitrophenyl)propanoylamino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C12H12N6O4S2 MolecularWeight: 368.39148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NNC(=O)NC2=NNC(=S)S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NNC(=O)NC2=NNC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4S2/c19-9(6-3-7-1-4-8(5-2-7)18(21)22)14-15-10(20)13-11-16-17-12(23)24-11/h1-2,4-5H,3,6H2,(H,14,19)(H,17,23)(H2,13,15,16,20)