3-methoxy-4-(2-oxidanylideneazepan-3-yl)oxy-benzenecarbothioamide

Systemtic Name: 3-methoxy-4-(2-oxidanylideneazepan-3-yl)oxy-benzenecarbothioamide Openeye Name: 3-methoxy-4-(2-oxoazepan-3-yl)oxy-benzenecarbothioamide CAS Name: 3-methoxy-4-[(2-oxo-3-azepanyl)oxy]benzenecarbothioamide IUPAC Name: 3-methoxy-4-(2-oxoazepan-3-yl)oxybenzenecarbothioamide Traditional Name: 4-(2-ketoazepan-3-yl)oxy-3-methoxy-thiobenzamide Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N)OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N)OC2CCCCNC2=O

InChI

InChI=1S/C14H18N2O3S/c1-18-12-8-9(13(15)20)5-6-10(12)19-11-4-2-3-7-16-14(11)17/h5-6,8,11H,2-4,7H2,1H3,(H2,15,20)(H,16,17)