N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H25ClN4O3S/c1-25-7-9-26(10-8-25)19-17(22)5-4-6-18(19)23-21(30)24-20(27)14-11-15(28-2)13-16(12-14)29-3/h4-6,11-13H,7-10H2,1-3H3,(H2,23,24,27,30)