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

Systemtic Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclohexyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2S/c1-2-32-24-13-14-25-21(18-24)17-22(26(31)29-25)19-30(23-11-7-4-8-12-23)27(33)28-16-15-20-9-5-3-6-10-20/h3,5-6,9-10,13-14,17-18,23H,2,4,7-8,11-12,15-16,19H2,1H3,(H,28,33)(H,29,31)