[4-(2-methylquinolin-6-yl)oxy-3-methylsulfonyl-phenyl]methyl N-[bis(azanyl)methylidene]carbamate

Systemtic Name: [4-(2-methylquinolin-6-yl)oxy-3-methylsulfonyl-phenyl]methyl N-[bis(azanyl)methylidene]carbamate Openeye Name: [4-[(2-methyl-6-quinolyl)oxy]-3-methylsulfonyl-phenyl]methyl N-(diaminomethylene)carbamate CAS Name: N-(diaminomethylidene)carbamic acid [4-[(2-methyl-6-quinolinyl)oxy]-3-methylsulfonylphenyl]methyl ester IUPAC Name: [4-(2-methylquinolin-6-yl)oxy-3-methylsulfonylphenyl]methyl N-(diaminomethylidene)carbamate Traditional Name: N-(diaminomethylene)carbamic acid [3-mesyl-4-[(2-methyl-6-quinolyl)oxy]benzyl] ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)OC3=C(C=C(C=C3)COC(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)OC3=C(C=C(C=C3)COC(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O5S/c1-12-3-5-14-10-15(6-7-16(14)23-12)29-17-8-4-13(9-18(17)30(2,26)27)11-28-20(25)24-19(21)22/h3-10H,11H2,1-2H3,(H4,21,22,24,25)