methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(4-methylpiperazino)-3-(1-naphthoylthiocarbamoylamino)benzoic acid methyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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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=CC4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N4O3S/c1-28-12-14-29(15-13-28)22-11-10-18(24(31)32-2)16-21(22)26-25(33)27-23(30)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,16H,12-15H2,1-2H3,(H2,26,27,30,33)