methyl 1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylate

Systemtic Name: methyl 1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylate Openeye Name: methyl 1-[[(5-chloro-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutanecarboxylate CAS Name: 1-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(5-chloro-2-methylphenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylate Traditional Name: 1-[[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]cyclobutanecarboxylic acid methyl ester Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCC2)C(=O)OC

InChI

InChI=1S/C15H19ClN2O2S/c1-10-4-5-11(16)8-12(10)18-14(21)17-9-15(6-3-7-15)13(19)20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,17,18,21)