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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O3S/c1-2-3-16-32-22-13-10-19(17-21(22)26)23(30)28-25(33)27-20-11-8-18(9-12-20)24(31)29-14-6-4-5-7-15-29/h8-13,17H,2-7,14-16H2,1H3,(H2,27,28,30,33)