methyl N-[bis(2-chloroethylsulfanyl)carbamoyl]-N-(phenylcarbamoyl)carbamimidate

Systemtic Name: methyl N-[bis(2-chloroethylsulfanyl)carbamoyl]-N-(phenylcarbamoyl)carbamimidate Openeye Name: 1,1-bis(2-chloroethylsulfanyl)-3-(methoxycarbonimidoyl)-3-(phenylcarbamoyl)urea CAS Name: N-[anilino(oxo)methyl]-N-[[bis(2-chloroethylthio)amino]-oxomethyl]carbamimidic acid methyl ester IUPAC Name: methyl N-[bis(2-chloroethylsulfanyl)carbamoyl]-N-(phenylcarbamoyl)carbamimidate Traditional Name: 1,1-bis(2-chloroethylthio)-3-(methoxycarbonimidoyl)-3-(phenylcarbamoyl)urea Formula: C14H18Cl2N4O3S2 MolecularWeight: 425.35372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)N(C(=O)NC1=CC=CC=C1)C(=O)N(SCCCl)SCCCl

Isomeric SMILES

COC(=N)N(C(=O)NC1=CC=CC=C1)C(=O)N(SCCCl)SCCCl

InChI

InChI=1S/C14H18Cl2N4O3S2/c1-23-12(17)19(13(21)18-11-5-3-2-4-6-11)14(22)20(24-9-7-15)25-10-8-16/h2-6,17H,7-10H2,1H3,(H,18,21)