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

Systemtic Name: 4-butoxy-N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C23H29ClN4O2S/c1-3-4-16-30-18-10-8-17(9-11-18)22(29)26-23(31)25-20-7-5-6-19(24)21(20)28-14-12-27(2)13-15-28/h5-11H,3-4,12-16H2,1-2H3,(H2,25,26,29,31)