methyl 4-[[1-(8-chloranylquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[1-(8-chloranylquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[1-(8-chloro-4-quinolyl)-4-piperidyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-(8-chloro-4-quinolinyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(8-chloroquinolin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(8-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=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC=C(C4=NC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC=C(C4=NC=C3)Cl

InChI

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