1-butan-2-yl-3-cyclohexyl-1-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

Systemtic Name: 1-butan-2-yl-3-cyclohexyl-1-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea Openeye Name: 3-cyclohexyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-sec-butyl-urea CAS Name: 1-butan-2-yl-3-cyclohexyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea IUPAC Name: 1-butan-2-yl-3-cyclohexyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea Traditional Name: 3-cyclohexyl-1-[2-keto-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-sec-butyl-urea Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(=O)NC4CCCCC4

Isomeric SMILES

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(=O)NC4CCCCC4

InChI

InChI=1S/C26H35N3O2S/c1-3-19(2)29(26(31)27-21-12-8-5-9-13-21)18-24(30)28-16-14-23-22(15-17-32-23)25(28)20-10-6-4-7-11-20/h4,6-7,10-11,15,17,19,21,25H,3,5,8-9,12-14,16,18H2,1-2H3,(H,27,31)