N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(5-methyl-2-thienyl)azepane-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-thiophenyl)-1-azepanecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(5-methyl-2-thienyl)azepane-1-carboxamide Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C20H25ClN2O3S/c1-13-8-9-19(27-13)16-7-5-4-6-10-23(16)20(24)22-15-11-14(21)17(25-2)12-18(15)26-3/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,22,24)