N-(4-methylsulfanylbutyl)-3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-amine

Systemtic Name: N-(4-methylsulfanylbutyl)-3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-amine Openeye Name: N-(4-methylsulfanylbutyl)-3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-amine CAS Name: N-[4-(methylthio)butyl]-3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-amine IUPAC Name: N-(4-methylsulfanylbutyl)-3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-amine Traditional Name: 4-(methylthio)butyl-(3-nitro-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-yl)amine Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCNC1=C2CCCCC2=NC(=C1[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CSCCCCNC1=C2CCCCC2=NC(=C1[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-27-14-8-7-13-21-18-16-11-5-6-12-17(16)22-20(19(18)23(24)25)26-15-9-3-2-4-10-15/h2-4,9-10H,5-8,11-14H2,1H3,(H,21,22)