N-(4-bromanyl-3-methyl-phenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(5-methyl-2-thienyl)azepane-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-thiophenyl)-1-azepanecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(5-methyl-2-thienyl)azepane-1-carboxamide Formula: C19H23BrN2OS MolecularWeight: 407.36772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C19H23BrN2OS/c1-13-12-15(8-9-16(13)20)21-19(23)22-11-5-3-4-6-17(22)18-10-7-14(2)24-18/h7-10,12,17H,3-6,11H2,1-2H3,(H,21,23)