N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C28H32N4O3S2 MolecularWeight: 536.70868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3S2/c1-21(2)27(33)30-28(36)29-24-13-15-25(16-14-24)37(34,35)32-19-17-31(18-20-32)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3,(H2,29,30,33,36)