1-[(E)-2-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino]urea

Systemtic Name: 1-[(E)-2-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino]urea Openeye Name: [(E)-2-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino]urea CAS Name: [(E)-2-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino]urea IUPAC Name: [(E)-2-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino]urea Traditional Name: [(E)-2-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino]urea Formula: C22H37N3O3 MolecularWeight: 391.54748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4CC=NNC(=O)N)O)C)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C/C=N/NC(=O)N)O)C)O

InChI

InChI=1S/C22H37N3O3/c1-20-9-6-16(26)13-15(20)3-4-18-17(20)7-10-21(2)14(5-11-22(18,21)28)8-12-24-25-19(23)27/h12,14-18,26,28H,3-11,13H2,1-2H3,(H3,23,25,27)/b24-12+