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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2-thienyl)azepane-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-2-thiophen-2-yl-1-azepanecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(2-thienyl)azepane-1-carboxamide Formula: C18H21BrN2OS MolecularWeight: 393.34114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2OS/c1-13-12-14(8-9-15(13)19)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)