ethyl 4-(4-ethylpiperazin-1-yl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]carbamothioylamino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]carbamothioylamino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C29H38N6O5S MolecularWeight: 582.71422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H38N6O5S/c1-4-32-14-16-34(17-15-32)24-8-7-22(28(37)40-5-2)18-23(24)30-29(41)31-27(36)21-6-9-25(26(19-21)35(38)39)33-12-10-20(3)11-13-33/h6-9,18-20H,4-5,10-17H2,1-3H3,(H2,30,31,36,41)