4-chloranylbutyl [2-[aminocarbonyl(methyl)carbamoyl]phenyl]sulfanylmethanoate

Systemtic Name: 4-chloranylbutyl [2-[aminocarbonyl(methyl)carbamoyl]phenyl]sulfanylmethanoate Openeye Name: 4-chlorobutyl [2-[carbamoyl(methyl)carbamoyl]phenyl]sulfanylformate CAS Name: [[2-[[carbamoyl(methyl)amino]-oxomethyl]phenyl]thio]formic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl [2-[carbamoyl(methyl)carbamoyl]phenyl]sulfanylformate Traditional Name: [[2-[carbamoyl(methyl)carbamoyl]phenyl]thio]formic acid 4-chlorobutyl ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=CC=C1SC(=O)OCCCCCl)C(=O)N

Isomeric SMILES

CN(C(=O)C1=CC=CC=C1SC(=O)OCCCCCl)C(=O)N

InChI

InChI=1S/C14H17ClN2O4S/c1-17(13(16)19)12(18)10-6-2-3-7-11(10)22-14(20)21-9-5-4-8-15/h2-3,6-7H,4-5,8-9H2,1H3,(H2,16,19)