N-(4-methyl-2-oxidanylidene-chromen-7-yl)azepane-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)azepane-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)azepane-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-azepanecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)azepane-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)azepane-1-carbothioamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCCCCC3

InChI

InChI=1S/C17H20N2O2S/c1-12-10-16(20)21-15-11-13(6-7-14(12)15)18-17(22)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,22)