methyl N-[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylcarbamate

Systemtic Name: methyl N-[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylcarbamate Openeye Name: methyl N-[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]carbamate CAS Name: N-[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]carbamate Traditional Name: N-[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]carbamic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)N1CCN(CC1)C2=CC=CC=C2SC

Isomeric SMILES

COC(=O)NC(=O)N1CCN(CC1)C2=CC=CC=C2SC

InChI

InChI=1S/C14H19N3O3S/c1-20-14(19)15-13(18)17-9-7-16(8-10-17)11-5-3-4-6-12(11)21-2/h3-6H,7-10H2,1-2H3,(H,15,18,19)