N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-bromo-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C24H30BrN3O4S2 MolecularWeight: 568.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C24H30BrN3O4S2/c1-17(2)16-32-22-12-7-18(15-21(22)25)23(29)27-24(33)26-19-8-10-20(11-9-19)34(30,31)28-13-5-3-4-6-14-28/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H2,26,27,29,33)