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

Systemtic Name: 3-cyclohexyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Openeye Name: 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea IUPAC Name: 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-cyclohexyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3CCCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3CCCCC3

InChI

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