N-[1-(dipentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[1-(dipentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-3-carboxamide Openeye Name: N-[1-(dipentylcarbamoyl)-3-methylsulfanyl-propyl]quinoline-3-carboxamide CAS Name: N-[1-(dipentylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[1-(dipentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]quinoline-3-carboxamide Traditional Name: N-[1-(diamylcarbamoyl)-3-(methylthio)propyl]quinoline-3-carboxamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C25H37N3O2S/c1-4-6-10-15-28(16-11-7-5-2)25(30)23(14-17-31-3)27-24(29)21-18-20-12-8-9-13-22(20)26-19-21/h8-9,12-13,18-19,23H,4-7,10-11,14-17H2,1-3H3,(H,27,29)