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

Systemtic Name: 4-butoxy-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C30H33ClN4O3S MolecularWeight: 565.12602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C30H33ClN4O3S/c1-3-4-19-38-24-12-9-22(10-13-24)28(36)33-30(39)32-23-11-14-27(26(31)20-23)34-15-17-35(18-16-34)29(37)25-8-6-5-7-21(25)2/h5-14,20H,3-4,15-19H2,1-2H3,(H2,32,33,36,39)