methyl 2-[[4-(cyclopropylcarbonylamino)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(cyclopropylcarbonylamino)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(cyclopropanecarbonylamino)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[[cyclopropyl(oxo)methyl]amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclopropanecarbonylamino)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(cyclopropanecarbonylamino)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)C3CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)C3CC3

InChI

InChI=1S/C18H23N3O3S/c1-24-17(23)14-4-2-3-5-15(14)20-18(25)21-10-8-13(9-11-21)19-16(22)12-6-7-12/h2-5,12-13H,6-11H2,1H3,(H,19,22)(H,20,25)