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

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C33H34N4O3S2 MolecularWeight: 598.77806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H34N4O3S2/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/h1-15,17-20,32H,16,21-25H2,(H2,34,35,38,41)