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

Systemtic Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4CCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-2-31-23-13-14-24-20(16-23)15-21(25(30)28-24)18-29(17-19-9-5-3-6-10-19)26(32)27-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22H,2,4,7-8,11-12,17-18H2,1H3,(H,27,32)(H,28,30)