methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-acetamido-5-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-5-[(4-chlorophenyl)thio]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

InChI

InChI=1S/C17H16ClN3O3S2/c1-10(22)19-14-8-7-13(26-12-5-3-11(18)4-6-12)9-15(14)20-16(25)21-17(23)24-2/h3-9H,1-2H3,(H,19,22)(H2,20,21,23,25)