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

Systemtic Name: 4-tert-butyl-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C30H34N4O2S MolecularWeight: 514.68156

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O2S/c1-21-7-5-6-8-26(21)28(36)34-19-17-33(18-20-34)25-15-13-24(14-16-25)31-29(37)32-27(35)22-9-11-23(12-10-22)30(2,3)4/h5-16H,17-20H2,1-4H3,(H2,31,32,35,37)