1-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-3-yl-urea

Systemtic Name: 1-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-3-yl-urea Openeye Name: 1-[(3R,6R)-6-(3-cyanophenyl)norcaran-3-yl]-1-[2-(diisopropylamino)ethyl]-3-(3-thienyl)urea CAS Name: 1-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[di(propan-2-yl)amino]ethyl]-3-(3-thiophenyl)urea IUPAC Name: 1-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-3-ylurea Traditional Name: 1-[(3R,6R)-6-(3-cyanophenyl)norcaran-3-yl]-1-[2-(diisopropylamino)ethyl]-3-(3-thienyl)urea Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCN(C1CCC2(CC2C1)C3=CC=CC(=C3)C#N)C(=O)NC4=CSC=C4)C(C)C

Isomeric SMILES

CC(C)N(CCN([C@@H]1CC[C@]2(CC2C1)C3=CC=CC(=C3)C#N)C(=O)NC4=CSC=C4)C(C)C

InChI

InChI=1S/C27H36N4OS/c1-19(2)30(20(3)4)11-12-31(26(32)29-24-9-13-33-18-24)25-8-10-27(16-23(27)15-25)22-7-5-6-21(14-22)17-28/h5-7,9,13-14,18-20,23,25H,8,10-12,15-16H2,1-4H3,(H,29,32)/t23?,25-,27+/m1/s1