N-(4-bromanyl-2-methyl-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(4-bromo-2-methyl-phenyl)azepane-1-carbothioamide CAS Name: N-(4-bromo-2-methylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(4-bromo-2-methylphenyl)azepane-1-carbothioamide Traditional Name: N-(4-bromo-2-methyl-phenyl)azepane-1-carbothioamide Formula: C14H19BrN2S MolecularWeight: 327.28306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2S/c1-11-10-12(15)6-7-13(11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)