N'-(6-methoxy-4-methyl-quinolin-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]propane-1,3-diamine

Systemtic Name: N'-(6-methoxy-4-methyl-quinolin-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]propane-1,3-diamine Openeye Name: N'-(6-methoxy-4-methyl-2-quinolyl)-N-[(5-nitro-3-thienyl)methyl]propane-1,3-diamine CAS Name: N'-(6-methoxy-4-methyl-2-quinolinyl)-N-[(5-nitro-3-thiophenyl)methyl]propane-1,3-diamine IUPAC Name: N'-(6-methoxy-4-methylquinolin-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]propane-1,3-diamine Traditional Name: (6-methoxy-4-methyl-2-quinolyl)-[3-[(5-nitro-3-thienyl)methylamino]propyl]amine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)OC)NCCCNCC3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)OC)NCCCNCC3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-13-8-18(22-17-5-4-15(26-2)10-16(13)17)21-7-3-6-20-11-14-9-19(23(24)25)27-12-14/h4-5,8-10,12,20H,3,6-7,11H2,1-2H3,(H,21,22)