N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: 3,5-dimethyl-N-[[4-(4-p-anisoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C

InChI

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