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

Systemtic Name: 3-cyclohexyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-(3-hydroxypropyl)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-15-8-9-16-13-17(20(26)23-19(16)12-15)14-24(10-5-11-25)21(27)22-18-6-3-2-4-7-18/h8-9,12-13,18,25H,2-7,10-11,14H2,1H3,(H,22,27)(H,23,26)