N-butan-2-ylsulfanyl-N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-butan-2-ylsulfanyl-N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide Openeye Name: N-[2-(dipentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N-sec-butylsulfanyl-quinoline-3-carboxamide CAS Name: N-(butan-2-ylthio)-N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-butan-2-ylsulfanyl-N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide Traditional Name: N-[2-(diamylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-(sec-butylthio)quinoline-3-carboxamide Formula: C35H46N4O2S MolecularWeight: 586.83034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)N(C(=O)C3=CC4=CC=CC=C4N=C3)SC(C)CC

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)N(C(=O)C3=CC4=CC=CC=C4N=C3)SC(C)CC

InChI

InChI=1S/C35H46N4O2S/c1-5-8-14-20-38(21-15-9-6-2)35(41)33(23-28-24-37-32-19-13-11-17-30(28)32)39(42-26(4)7-3)34(40)29-22-27-16-10-12-18-31(27)36-25-29/h10-13,16-19,22,24-26,33,37H,5-9,14-15,20-21,23H2,1-4H3