(3-methylsulfonyl-4-quinolin-6-yloxy-phenyl)methyl N-[bis(azanyl)methylidene]carbamate dihydrochloride

Systemtic Name: (3-methylsulfonyl-4-quinolin-6-yloxy-phenyl)methyl N-[bis(azanyl)methylidene]carbamate dihydrochloride Openeye Name: [3-methylsulfonyl-4-(6-quinolyloxy)phenyl]methyl N-(diaminomethylene)carbamate dihydrochloride CAS Name: N-(diaminomethylidene)carbamic acid [3-methylsulfonyl-4-(6-quinolinyloxy)phenyl]methyl ester dihydrochloride IUPAC Name: (3-methylsulfonyl-4-quinolin-6-yloxyphenyl)methyl N-(diaminomethylidene)carbamate dihydrochloride Traditional Name: N-(diaminomethylene)carbamic acid [3-mesyl-4-(6-quinolyloxy)benzyl] ester dihydrochloride Formula: C19H20Cl2N4O5S MolecularWeight: 487.3569

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)COC(=O)N=C(N)N)OC2=CC3=C(C=C2)N=CC=C3.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)COC(=O)N=C(N)N)OC2=CC3=C(C=C2)N=CC=C3.Cl.Cl

InChI

InChI=1S/C19H18N4O5S.2ClH/c1-29(25,26)17-9-12(11-27-19(24)23-18(20)21)4-7-16(17)28-14-5-6-15-13(10-14)3-2-8-22-15;;/h2-10H,11H2,1H3,(H4,20,21,23,24);2*1H