1-[1-(7-chloranylquinolin-4-yl)piperidin-4-yl]-3-(4-methylsulfanylphenyl)thiourea

Systemtic Name: 1-[1-(7-chloranylquinolin-4-yl)piperidin-4-yl]-3-(4-methylsulfanylphenyl)thiourea Openeye Name: 1-[1-(7-chloro-4-quinolyl)-4-piperidyl]-3-(4-methylsulfanylphenyl)thiourea CAS Name: 1-[1-(7-chloro-4-quinolinyl)-4-piperidinyl]-3-[4-(methylthio)phenyl]thiourea IUPAC Name: 1-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-(4-methylsulfanylphenyl)thiourea Traditional Name: 1-[1-(7-chloro-4-quinolyl)-4-piperidyl]-3-[4-(methylthio)phenyl]thiourea Formula: C22H23ClN4S2 MolecularWeight: 443.02782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H23ClN4S2/c1-29-18-5-3-16(4-6-18)25-22(28)26-17-9-12-27(13-10-17)21-8-11-24-20-14-15(23)2-7-19(20)21/h2-8,11,14,17H,9-10,12-13H2,1H3,(H2,25,26,28)