N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(2-phenylsulfanylethyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(2-phenylsulfanylethyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-1-(2-phenylsulfanylethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-4-oxo-1-[2-(phenylthio)ethyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1-(2-phenylsulfanylethyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)-1-[2-(phenylthio)ethyl]quinoline-3-carboxamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CCSC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CCSC5=CC=CC=C5

InChI

InChI=1S/C30H30ClN3O3S/c31-24-9-6-22(7-10-24)19-32-30(36)27-21-34(14-17-38-25-4-2-1-3-5-25)28-11-8-23(18-26(28)29(27)35)20-33-12-15-37-16-13-33/h1-11,18,21H,12-17,19-20H2,(H,32,36)