N-(2-methoxy-5-methyl-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)azepane-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)azepane-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)azepane-1-carbothioamide Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2OS/c1-12-7-8-14(18-2)13(11-12)16-15(19)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)