methyl N-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]carbamate

Systemtic Name: methyl N-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]carbamate Openeye Name: methyl N-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]carbamate CAS Name: N-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]carbamate Traditional Name: N-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C13H17ClN4O5S2 MolecularWeight: 408.88088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

COC(=O)NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C13H17ClN4O5S2/c1-22-13(19)17-16-12(24)15-11-8-9(2-3-10(11)14)25(20,21)18-4-6-23-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,19)(H2,15,16,24)