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

Systemtic Name: 4-butoxy-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C30H34N4O3S MolecularWeight: 530.68096

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3S/c1-3-4-21-37-27-15-9-23(10-16-27)28(35)32-30(38)31-25-11-13-26(14-12-25)33-17-19-34(20-18-33)29(36)24-7-5-22(2)6-8-24/h5-16H,3-4,17-21H2,1-2H3,(H2,31,32,35,38)