2-(4-methylpiperazin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C25H27N5O2S MolecularWeight: 461.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-29-13-15-30(16-14-29)23-22(11-6-12-26-23)24(31)28-25(33)27-20-9-5-10-21(17-20)32-18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,31,33)