4-butylsulfanyl-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: 4-butylsulfanyl-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-butylsulfanyl-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-(butylthio)-N-methyl-3-[8-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-butylsulfanyl-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(butylthio)-N-methyl-3-[8-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

InChI

InChI=1S/C26H31N3OS/c1-3-4-16-31-24-12-10-20(26(30)27-2)17-22(24)21-11-9-19-8-7-13-28-25(19)23(21)18-29-14-5-6-15-29/h7-13,17H,3-6,14-16,18H2,1-2H3,(H,27,30)