4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]-N-(3-cyanophenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]-N-(3-cyanophenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]-N-(3-cyanophenyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinyl]-N-(3-cyanophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-(3-cyanophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]-N-(3-cyanophenyl)piperidine-1-carbothioamide Formula: C27H27ClN4OS2 MolecularWeight: 523.11248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H27ClN4OS2/c28-24-22-6-1-2-7-23(22)35-25(24)26(33)31-12-8-19(9-13-31)20-10-14-32(15-11-20)27(34)30-21-5-3-4-18(16-21)17-29/h1-7,16,19-20H,8-15H2,(H,30,34)