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

Systemtic Name: 3-ethoxy-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H30N4O3S/c1-3-35-25-6-4-5-22(19-25)26(33)30-28(36)29-23-11-13-24(14-12-23)31-15-17-32(18-16-31)27(34)21-9-7-20(2)8-10-21/h4-14,19H,3,15-18H2,1-2H3,(H2,29,30,33,36)