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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(3-phenylsulfanylpropyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-1-(3-phenylsulfanylpropyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-4-oxo-1-[3-(phenylthio)propyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1-(3-phenylsulfanylpropyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)-1-[3-(phenylthio)propyl]quinoline-3-carboxamide Formula: C31H32ClN3O3S MolecularWeight: 562.12208

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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)CCCSC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CCCSC5=CC=CC=C5

InChI

InChI=1S/C31H32ClN3O3S/c32-25-10-7-23(8-11-25)20-33-31(37)28-22-35(13-4-18-39-26-5-2-1-3-6-26)29-12-9-24(19-27(29)30(28)36)21-34-14-16-38-17-15-34/h1-3,5-12,19,22H,4,13-18,20-21H2,(H,33,37)