N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-(3-methylbutoxy)benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-(3-methylbutoxy)benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-isoamoxy-benzamide Formula: C19H27BrN2O2S MolecularWeight: 427.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C19H27BrN2O2S/c1-14(2)9-12-24-17-8-7-15(13-16(17)20)18(23)21-19(25)22-10-5-3-4-6-11-22/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,23,25)