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

Systemtic Name: 3-cyclohexyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea CAS Name: 3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea IUPAC Name: 3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea Traditional Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3CCCCC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3CCCCC3)C

InChI

InChI=1S/C22H31N3O2S/c1-15-11-17-13-18(21(27)24-20(17)12-16(15)2)14-25(9-6-10-26)22(28)23-19-7-4-3-5-8-19/h11-13,19,26H,3-10,14H2,1-2H3,(H,23,28)(H,24,27)