N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-5-[2-oxidanylidene-3-(phenylcarbonyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanamide

Systemtic Name: N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-5-[2-oxidanylidene-3-(phenylcarbonyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanamide Openeye Name: 5-(3-benzoyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-N-[3-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxypropyl]pentanamide CAS Name: 5-(3-benzoyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxypropyl]pentanamide IUPAC Name: 5-(3-benzoyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]pentanamide Traditional Name: 5-(3-benzoyl-2-keto-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-6-yl)-N-[3-[2-cyanoethoxy-(diisopropylamino)phosphino]oxypropyl]valeramide Formula: C29H44N5O5PS MolecularWeight: 605.728921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCCNC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(=O)C3=CC=CC=C3)OCCC#N

Isomeric SMILES

CC(C)N(C(C)C)P(OCCCNC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(=O)C3=CC=CC=C3)OCCC#N

InChI

InChI=1S/C29H44N5O5PS/c1-21(2)34(22(3)4)40(38-18-10-16-30)39-19-11-17-31-26(35)15-9-8-14-25-27-24(20-41-25)33(29(37)32-27)28(36)23-12-6-5-7-13-23/h5-7,12-13,21-22,24-25,27H,8-11,14-15,17-20H2,1-4H3,(H,31,35)(H,32,37)