3-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea

Systemtic Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Openeye Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea IUPAC Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-cyclohexyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3CCCCC3

InChI

InChI=1S/C21H29N3O3S/c1-2-27-18-8-9-19-15(13-18)12-16(20(26)23-19)14-24(10-11-25)21(28)22-17-6-4-3-5-7-17/h8-9,12-13,17,25H,2-7,10-11,14H2,1H3,(H,22,28)(H,23,26)