methyl N-[[2-acetamido-5-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-acetamido-5-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-5-benzylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-acetamido-5-(phenylmethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-5-benzylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-5-(benzylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H19N3O3S2/c1-12(22)19-15-9-8-14(26-11-13-6-4-3-5-7-13)10-16(15)20-17(25)21-18(23)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H2,20,21,23,25)