methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C26H32N6O5S MolecularWeight: 540.63448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O5S/c1-29-12-14-31(15-13-29)21-8-7-19(25(34)37-2)16-20(21)27-26(38)28-24(33)18-6-9-22(23(17-18)32(35)36)30-10-4-3-5-11-30/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,27,28,33,38)