methyl 3-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]benzenecarboximidothioate

Systemtic Name: methyl 3-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]benzenecarboximidothioate Openeye Name: methyl 3-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]benzenecarboximidothioate CAS Name: 3-[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzenecarboximidothioic acid methyl ester IUPAC Name: methyl 3-[[1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]benzenecarboximidothioate Traditional Name: 3-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]benzenecarboximidothioic acid methyl ester Formula: C30H28Cl2N4O4S2 MolecularWeight: 643.60372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=N)SC)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=N)SC)Cl)C=C1

InChI

InChI=1S/C30H28Cl2N4O4S2/c1-18-11-12-19-6-4-10-25(28(19)34-18)40-17-22-23(31)13-14-26(27(22)32)42(38,39)36-15-5-9-24(36)30(37)35-21-8-3-7-20(16-21)29(33)41-2/h3-4,6-8,10-14,16,24,33H,5,9,15,17H2,1-2H3,(H,35,37)