methyl 2-[[cyclopropyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopropyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopropyl(4-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopropyl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopropyl(4-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC=NC=C2)C3CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC=NC=C2)C3CC3

InChI

InChI=1S/C18H19N3O2S/c1-23-17(22)15-4-2-3-5-16(15)20-18(24)21(14-6-7-14)12-13-8-10-19-11-9-13/h2-5,8-11,14H,6-7,12H2,1H3,(H,20,24)