carbonyl dichloride; (phenylmethyl) N-(4-chloranyl-3-oxidanylidene-1-phenylsulfanyl-butan-2-yl)carbamate

Systemtic Name: carbonyl dichloride; (phenylmethyl) N-(4-chloranyl-3-oxidanylidene-1-phenylsulfanyl-butan-2-yl)carbamate Openeye Name: benzyl N-[3-chloro-2-oxo-1-(phenylsulfanylmethyl)propyl]carbamate; carbonyl dichloride CAS Name: carbonic dichloride; N-[4-chloro-3-oxo-1-(phenylthio)butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(4-chloro-3-oxo-1-phenylsulfanylbutan-2-yl)carbamate; carbonyl dichloride Traditional Name: N-[3-chloro-2-keto-1-[(phenylthio)methyl]propyl]carbamic acid benzyl ester; phosgene Formula: C19H18Cl3NO4S MolecularWeight: 462.77452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)CCl.C(=O)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)CCl.C(=O)(Cl)Cl

InChI

InChI=1S/C18H18ClNO3S.CCl2O/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14;2-1(3)4/h1-10,16H,11-13H2,(H,20,22);