N-[(4-methoxyphenyl)-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]methyl]-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-methoxyphenyl)-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]methyl]-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-methoxyphenyl)-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]methyl]-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-methoxyphenyl)-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]methyl]-2-[(4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]-2-(4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(4-methoxyphenyl)-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]methyl]-2-[(4-methylquinolin-1-ium-2-yl)thio]acetamide Formula: C32H31N4O3S2+ MolecularWeight: 583.74354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC(C3=CC=C(C=C3)OC)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC(C3=CC=C(C=C3)OC)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

InChI

InChI=1S/C32H30N4O3S2/c1-20-16-30(33-26-10-6-4-8-24(20)26)40-18-28(37)35-32(22-12-14-23(39-3)15-13-22)36-29(38)19-41-31-17-21(2)25-9-5-7-11-27(25)34-31/h4-17,32H,18-19H2,1-3H3,(H,35,37)(H,36,38)/p+1