2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]-N-phenethyl-acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-14-9-16-10-18-19(26-13-25-18)11-17(16)23-21(14)27-12-20(24)22-8-7-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,22,24)