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

Systemtic Name: 2-chloranyl-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-4-methyl-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-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=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl

Isomeric SMILES

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

InChI

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