3-bromanyl-5-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide Openeye Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide CAS Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide IUPAC Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzenecarbothioamide Traditional Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)thiobenzamide Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c1-20-15-11-13(17(19)22)10-14(18)16(15)21-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,19,22)