N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C26H32BrN3O3S/c1-18(2)13-16-33-23-12-11-19(17-21(23)27)24(31)29-26(34)28-22-10-6-5-9-20(22)25(32)30-14-7-3-4-8-15-30/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3,(H2,28,29,31,34)