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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-propan-2-yloxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-isopropoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-propan-2-yloxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-propan-2-yloxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-isopropoxy-benzamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C24H28BrN3O3S/c1-16(2)31-21-12-9-18(15-20(21)25)22(29)27-24(32)26-19-10-7-17(8-11-19)23(30)28-13-5-3-4-6-14-28/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,26,27,29,32)