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

Systemtic Name: 4-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-methoxy-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-methoxy-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O3S/c1-19-5-3-4-6-24(19)26(33)31-17-15-30(16-18-31)22-11-9-21(10-12-22)28-27(35)29-25(32)20-7-13-23(34-2)14-8-20/h3-14H,15-18H2,1-2H3,(H2,28,29,32,35)