N-(2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H22N2O2S/c1-4-19(21(24)23-17-11-7-8-12-18(17)25-3)26-20-13-14(2)15-9-5-6-10-16(15)22-20/h5-13,19H,4H2,1-3H3,(H,23,24)