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

Systemtic Name: 3-chloranyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C34H29ClN4O2S2 MolecularWeight: 625.20266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C34H29ClN4O2S2/c35-29-26-16-8-10-18-28(26)43-31(29)32(40)37-34(42)36-27-17-9-7-15-25(27)33(41)39-21-19-38(20-22-39)30(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,30H,19-22H2,(H2,36,37,40,42)