3-cyclohexyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-cyclohexyl-propanamide CAS Name: 3-cyclohexyl-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C33H40N4O3S2 MolecularWeight: 604.8257

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC(=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/C33H40N4O3S2/c38-31(21-16-26-10-4-1-5-11-26)35-33(41)34-29-17-19-30(20-18-29)42(39,40)37-24-22-36(23-25-37)32(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h2-3,6-9,12-15,17-20,26,32H,1,4-5,10-11,16,21-25H2,(H2,34,35,38,41)