N-isoquinolin-1-yl-4-(4-methoxyphenyl)sulfanyl-N-methyl-butanamide

Systemtic Name: N-isoquinolin-1-yl-4-(4-methoxyphenyl)sulfanyl-N-methyl-butanamide Openeye Name: N-(1-isoquinolyl)-4-(4-methoxyphenyl)sulfanyl-N-methyl-butanamide CAS Name: N-(1-isoquinolinyl)-4-[(4-methoxyphenyl)thio]-N-methylbutanamide IUPAC Name: N-isoquinolin-1-yl-4-(4-methoxyphenyl)sulfanyl-N-methylbutanamide Traditional Name: N-(1-isoquinolyl)-4-[(4-methoxyphenyl)thio]-N-methyl-butyramide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=CC2=CC=CC=C21)C(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=NC=CC2=CC=CC=C21)C(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O2S/c1-23(21-19-7-4-3-6-16(19)13-14-22-21)20(24)8-5-15-26-18-11-9-17(25-2)10-12-18/h3-4,6-7,9-14H,5,8,15H2,1-2H3