N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C29H28N4O3S3 MolecularWeight: 576.75262

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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)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=CS5

InChI

InChI=1S/C29H28N4O3S3/c34-28(26-12-7-21-38-26)31-29(37)30-24-13-15-25(16-14-24)39(35,36)33-19-17-32(18-20-33)27(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-16,21,27H,17-20H2,(H2,30,31,34,37)