1-[(3-chloranyl-4-methyl-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methyl-benzothiophene-2-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(3-chloro-4-methyl-1-benzothiophen-2-yl)-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methyl-benzothiophene-2-carbonyl)-N-phenyl-nipecotamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2S/c1-14-7-5-11-17-18(14)19(23)20(28-17)22(27)25-12-6-8-15(13-25)21(26)24-16-9-3-2-4-10-16/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,24,26)