1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-15-10-18-12-19(21(27)24-20(18)11-16(15)2)14-25(8-9-26)22(28)23-13-17-6-4-3-5-7-17/h3-7,10-12,26H,8-9,13-14H2,1-2H3,(H,23,28)(H,24,27)