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

Systemtic Name: methyl N-[[2-(2-chloranylethanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-[(2-chloroacetyl)amino]phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[(2-chloro-1-oxoethyl)amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-[(2-chloroacetyl)amino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-[(2-chloroacetyl)amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-26-18(25)22-17(27)21-14-9-12(7-8-13(14)20-15(23)10-19)16(24)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,25,27)