N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H32BrN3O3S/c1-18(2)13-16-33-23-12-9-20(27)17-22(23)24(31)29-26(34)28-21-10-7-19(8-11-21)25(32)30-14-5-3-4-6-15-30/h7-12,17-18H,3-6,13-16H2,1-2H3,(H2,28,29,31,34)