3-chloranyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C33H29ClN4O3S3 MolecularWeight: 661.25636

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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=C(C6=CC=CC=C6S5)Cl

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=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C33H29ClN4O3S3/c34-29-27-13-7-8-14-28(27)43-31(29)32(39)36-33(42)35-25-15-17-26(18-16-25)44(40,41)38-21-19-37(20-22-38)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,30H,19-22H2,(H2,35,36,39,42)