N-(2,5-dimethoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(2,5-dimethoxyphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(2-quinolylthio)butyramide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O3S/c1-4-19(27-20-12-9-14-7-5-6-8-16(14)22-20)21(24)23-17-13-15(25-2)10-11-18(17)26-3/h5-13,19H,4H2,1-3H3,(H,23,24)