4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[(4-nitrophenyl)carbamothioylamino]-4-oxo-butanoic acid CAS Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-3-[(4-nitrophenyl)carbamothioylamino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-3-[(4-nitrophenyl)thiocarbamoylamino]butyric acid Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-32-20(29)17(11-13-5-3-2-4-6-13)23-19(28)16(12-18(26)27)24-21(33)22-14-7-9-15(10-8-14)25(30)31/h2-10,16-17H,11-12H2,1H3,(H,23,28)(H,26,27)(H2,22,24,33)