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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-phenethyloxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-phenethyloxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-phenethyloxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-phenethyloxy-benzamide Formula: C29H30BrN3O3S MolecularWeight: 580.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C29H30BrN3O3S/c30-25-20-23(12-15-26(25)36-19-16-21-8-4-3-5-9-21)27(34)32-29(37)31-24-13-10-22(11-14-24)28(35)33-17-6-1-2-7-18-33/h3-5,8-15,20H,1-2,6-7,16-19H2,(H2,31,32,34,37)