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

Systemtic Name: 1-[1-(7-chloranylquinolin-4-yl)piperidin-4-yl]-3-(4-cyanophenyl)thiourea Openeye Name: 1-[1-(7-chloro-4-quinolyl)-4-piperidyl]-3-(4-cyanophenyl)thiourea CAS Name: 1-[1-(7-chloro-4-quinolinyl)-4-piperidinyl]-3-(4-cyanophenyl)thiourea IUPAC Name: 1-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-(4-cyanophenyl)thiourea Traditional Name: 1-[1-(7-chloro-4-quinolyl)-4-piperidyl]-3-(4-cyanophenyl)thiourea Formula: C22H20ClN5S MolecularWeight: 421.9457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=CC=C(C=C2)C#N)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=CC=C(C=C2)C#N)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H20ClN5S/c23-16-3-6-19-20(13-16)25-10-7-21(19)28-11-8-18(9-12-28)27-22(29)26-17-4-1-15(14-24)2-5-17/h1-7,10,13,18H,8-9,11-12H2,(H2,26,27,29)