N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C29H32N4O3S/c1-3-20-36-25-14-8-22(9-15-25)27(34)31-29(37)30-23-10-12-24(13-11-23)32-16-18-33(19-17-32)28(35)26-7-5-4-6-21(26)2/h4-15H,3,16-20H2,1-2H3,(H2,30,31,34,37)