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

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H22N2OS/c1-3-19(21(24)22-14-16-9-5-4-6-10-16)25-20-13-15(2)17-11-7-8-12-18(17)23-20/h4-13,19H,3,14H2,1-2H3,(H,22,24)