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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-methyl-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-methyl-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-methylbenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-methylbenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-methyl-benzamide Formula: C15H19BrN2OS MolecularWeight: 355.29316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C15H19BrN2OS/c1-11-6-7-12(10-13(11)16)14(19)17-15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3,(H,17,19,20)