3-chloranyl-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl

InChI

InChI=1S/C20H23ClN4OS/c1-14-3-4-15(13-18(14)21)19(26)23-20(27)22-16-5-7-17(8-6-16)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3,(H2,22,23,26,27)