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

Systemtic Name: N-[1-(dipentylamino)-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide Openeye Name: N-[2-(dipentylamino)-1-[[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]methyl]-2-oxo-ethyl]quinoline-3-carboxamide CAS Name: N-[1-(dipentylamino)-3-[2-[(2-nitrophenyl)thio]-1H-indol-3-yl]-1-oxopropan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[1-(dipentylamino)-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]-1-oxopropan-2-yl]quinoline-3-carboxamide Traditional Name: N-[2-(diamylamino)-2-keto-1-[[2-[(2-nitrophenyl)thio]-1H-indol-3-yl]methyl]ethyl]quinoline-3-carboxamide Formula: C37H41N5O4S MolecularWeight: 651.81754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C37H41N5O4S/c1-3-5-13-21-41(22-14-6-4-2)37(44)32(39-35(43)27-23-26-15-7-9-17-30(26)38-25-27)24-29-28-16-8-10-18-31(28)40-36(29)47-34-20-12-11-19-33(34)42(45)46/h7-12,15-20,23,25,32,40H,3-6,13-14,21-22,24H2,1-2H3,(H,39,43)