N-(2-chloranyl-4-methyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(2-thienyl)azepane-1-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-2-thiophen-2-yl-1-azepanecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-(2-thienyl)azepane-1-carboxamide Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3)Cl

InChI

InChI=1S/C18H21ClN2OS/c1-13-8-9-15(14(19)12-13)20-18(22)21-10-4-2-3-6-16(21)17-7-5-11-23-17/h5,7-9,11-12,16H,2-4,6,10H2,1H3,(H,20,22)