3-butoxy-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C29H31ClN4O3S MolecularWeight: 551.09944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H31ClN4O3S/c1-2-3-19-37-26-6-4-5-22(20-26)27(35)32-29(38)31-24-11-13-25(14-12-24)33-15-17-34(18-16-33)28(36)21-7-9-23(30)10-8-21/h4-14,20H,2-3,15-19H2,1H3,(H2,31,32,35,38)