3-cyclohexyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-cyclohexyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea CAS Name: 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea IUPAC Name: 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea Traditional Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NC3CCCCC3

InChI

InChI=1S/C22H31N3O2S/c1-15-9-10-16(2)20-19(15)13-17(21(27)24-20)14-25(11-6-12-26)22(28)23-18-7-4-3-5-8-18/h9-10,13,18,26H,3-8,11-12,14H2,1-2H3,(H,23,28)(H,24,27)