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

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C32H31IN4O4S2 MolecularWeight: 726.64741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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)I

Isomeric SMILES

COC1=C(C=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)I

InChI

InChI=1S/C32H31IN4O4S2/c1-41-29-17-12-25(22-28(29)33)31(38)35-32(42)34-26-13-15-27(16-14-26)43(39,40)37-20-18-36(19-21-37)30(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,22,30H,18-21H2,1H3,(H2,34,35,38,42)