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

Systemtic Name: 3-butoxy-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O2S/c1-3-5-16-31-19-9-6-8-18(17-19)23(30)27-24(32)26-21-11-7-10-20(25)22(21)29-14-12-28(4-2)13-15-29/h6-11,17H,3-5,12-16H2,1-2H3,(H2,26,27,30,32)