N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-butoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-butoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-5-bromo-2-butoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-butoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C24H30BrN3O4S2 MolecularWeight: 568.5467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30BrN3O4S2/c1-2-3-16-32-22-13-8-18(25)17-21(22)23(29)27-24(33)26-19-9-11-20(12-10-19)34(30,31)28-14-6-4-5-7-15-28/h8-13,17H,2-7,14-16H2,1H3,(H2,26,27,29,33)