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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C21H24BrN3O4S2 MolecularWeight: 526.46696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S2/c1-29-19-11-6-15(14-18(19)22)20(26)24-21(30)23-16-7-9-17(10-8-16)31(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H2,23,24,26,30)