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

Systemtic Name: 3-chloranyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-chloro-benzothiophene-2-carboxamide Formula: C27H24ClN3OS2 MolecularWeight: 506.08196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H24ClN3OS2/c28-23-21-13-7-8-14-22(21)34-25(23)26(32)29-27(33)31-17-15-30(16-18-31)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,24H,15-18H2,(H,29,32,33)