4-ethoxy-N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]benzamide

Systemtic Name: 4-ethoxy-N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]benzamide Openeye Name: 4-ethoxy-N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]benzamide CAS Name: 4-ethoxy-N-[2-[4-(ethylthio)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropyl]benzamide IUPAC Name: 4-ethoxy-N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl]benzamide Traditional Name: 4-ethoxy-N-[2-[4-(ethylthio)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methyl-propyl]benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C)(C)C2CC(C3=C(N2)C=CC(=C3)[N+](=O)[O-])SCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(C)(C)C2CC(C3=C(N2)C=CC(=C3)[N+](=O)[O-])SCC

InChI

InChI=1S/C24H31N3O4S/c1-5-31-18-10-7-16(8-11-18)23(28)25-15-24(3,4)22-14-21(32-6-2)19-13-17(27(29)30)9-12-20(19)26-22/h7-13,21-22,26H,5-6,14-15H2,1-4H3,(H,25,28)