methyl N-[[2-(2-chloranylethanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(2-chloranylethanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2-chloroacetyl)amino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[(2-chloro-1-oxoethyl)amino]-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2-chloroacetyl)amino]-5-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[(2-chloroacetyl)amino]-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CCl

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CCl

InChI

InChI=1S/C17H16ClN3O3S2/c1-24-17(23)21-16(25)20-14-9-12(26-11-5-3-2-4-6-11)7-8-13(14)19-15(22)10-18/h2-9H,10H2,1H3,(H,19,22)(H2,20,21,23,25)