N-[(2R)-4-phenylbutan-2-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H26N2O3S/c1-18(8-9-19-6-3-2-4-7-19)26(17-23-25-12-15-30-23)24(27)20-10-11-21-22(16-20)29-14-5-13-28-21/h2-4,6-7,10-12,15-16,18H,5,8-9,13-14,17H2,1H3/t18-/m1/s1