1-[2-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-ethyl-amino]ethyl]-3-phenyl-thiourea

Systemtic Name: 1-[2-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-ethyl-amino]ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl-ethyl-amino]ethyl]-3-phenyl-thiourea CAS Name: 1-[2-[[5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-3-phenylthiourea IUPAC Name: 1-[2-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-3-phenylthiourea Traditional Name: 1-[2-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]-ethyl-amino]ethyl]-3-phenyl-thiourea Formula: C27H28ClN5OS MolecularWeight: 506.06212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=S)NC1=CC=CC=C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

Isomeric SMILES

CCN(CCNC(=S)NC1=CC=CC=C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

InChI

InChI=1S/C27H28ClN5OS/c1-2-33(15-14-30-27(35)32-21-6-4-3-5-7-21)18-19-16-22(9-11-26(19)34)31-24-12-13-29-25-17-20(28)8-10-23(24)25/h3-13,16-17,34H,2,14-15,18H2,1H3,(H,29,31)(H2,30,32,35)