N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C33H34N4O4S2 MolecularWeight: 614.77746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=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

CCOC1=CC=CC(=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/C33H34N4O4S2/c1-2-41-29-15-9-14-27(24-29)32(38)35-33(42)34-28-16-18-30(19-17-28)43(39,40)37-22-20-36(21-23-37)31(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-19,24,31H,2,20-23H2,1H3,(H2,34,35,38,42)