3-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide

Systemtic Name: 3-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide Openeye Name: 3-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide CAS Name: 3-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide IUPAC Name: 3-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide Traditional Name: 3-methoxy-4-(3-phenylpropoxy)thiobenzamide Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N)OCCCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO2S/c1-19-16-12-14(17(18)21)9-10-15(16)20-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,18,21)