1-(cyclohexylideneamino)-3-(methoxymethyl)-N-methylsulfanyl-2-quinolin-3-yl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(cyclohexylideneamino)-3-(methoxymethyl)-N-methylsulfanyl-2-quinolin-3-yl-pyrrolidine-2-carboxamide Openeye Name: 1-(cyclohexylideneamino)-3-(methoxymethyl)-N-methylsulfanyl-2-(3-quinolyl)pyrrolidine-2-carboxamide CAS Name: 1-(cyclohexylideneamino)-3-(methoxymethyl)-N-(methylthio)-2-(3-quinolinyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(cyclohexylideneamino)-3-(methoxymethyl)-N-methylsulfanyl-2-quinolin-3-ylpyrrolidine-2-carboxamide Traditional Name: 1-(cyclohexylideneamino)-3-(methoxymethyl)-N-(methylthio)-2-(3-quinolyl)pyrrolidine-2-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCN(C1(C2=CC3=CC=CC=C3N=C2)C(=O)NSC)N=C4CCCCC4

Isomeric SMILES

COCC1CCN(C1(C2=CC3=CC=CC=C3N=C2)C(=O)NSC)N=C4CCCCC4

InChI

InChI=1S/C23H30N4O2S/c1-29-16-18-12-13-27(25-20-9-4-3-5-10-20)23(18,22(28)26-30-2)19-14-17-8-6-7-11-21(17)24-15-19/h6-8,11,14-15,18H,3-5,9-10,12-13,16H2,1-2H3,(H,26,28)