methyl N-[[2-azanyl-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-azanyl-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-benzylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-amino-4-(phenylmethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-benzylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-(benzylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S2/c1-21-16(20)19-15(22)18-14-8-7-12(9-13(14)17)23-10-11-5-3-2-4-6-11/h2-9H,10,17H2,1H3,(H2,18,19,20,22)