N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C34H36N4O3S2 MolecularWeight: 612.80464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H36N4O3S2/c1-25(2)26-13-15-29(16-14-26)33(39)36-34(42)35-30-17-19-31(20-18-30)43(40,41)38-23-21-37(22-24-38)32(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-20,25,32H,21-24H2,1-2H3,(H2,35,36,39,42)