methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalene-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[2-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-(naphthalene-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(4-methylpiperazino)-3-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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