3-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-15-7-5-8-16-13-17(20(26)23-19(15)16)14-24(11-6-12-25)21(27)22-18-9-3-2-4-10-18/h5,7-8,13,18,25H,2-4,6,9-12,14H2,1H3,(H,22,27)(H,23,26)