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

Systemtic Name: 3-butyl-1-[2-oxidanylidene-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1-propan-2-yl-urea Openeye Name: 3-butyl-1-isopropyl-1-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]urea CAS Name: 3-butyl-1-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1-propan-2-ylurea IUPAC Name: 3-butyl-1-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1-propan-2-ylurea Traditional Name: 3-butyl-1-isopropyl-1-[2-keto-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]urea Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(C)C

Isomeric SMILES

CCCCNC(=O)N(CC(=O)N1CCC2=C([C@@H]1C3=CC=CC=C3)C=CS2)C(C)C

InChI

InChI=1S/C23H31N3O2S/c1-4-5-13-24-23(28)26(17(2)3)16-21(27)25-14-11-20-19(12-15-29-20)22(25)18-9-7-6-8-10-18/h6-10,12,15,17,22H,4-5,11,13-14,16H2,1-3H3,(H,24,28)/t22-/m0/s1