methyl 3-[[1-(7-chloranylquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[1-(7-chloranylquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[1-(7-chloro-4-quinolyl)-4-piperidyl]carbamothioylamino]benzoate CAS Name: 3-[[[[1-(7-chloro-4-quinolinyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(7-chloroquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Traditional Name: 3-[[1-(7-chloro-4-quinolyl)-4-piperidyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-30-22(29)15-3-2-4-18(13-15)27-23(31)26-17-8-11-28(12-9-17)21-7-10-25-20-14-16(24)5-6-19(20)21/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H2,26,27,31)