ethyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-2-28-19(25)15-3-5-16(6-4-15)21-20(29)23-13-11-22(12-14-23)17-7-9-18(10-8-17)24(26)27/h3-10H,2,11-14H2,1H3,(H,21,29)