N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(cyclohexylmethyl)-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(cyclohexylmethyl)-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(cyclohexylmethyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(cyclohexylmethyl)-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O3S/c24-21(17-7-8-18-19(13-17)26-11-4-10-25-18)23(15-20-22-9-12-27-20)14-16-5-2-1-3-6-16/h7-9,12-13,16H,1-6,10-11,14-15H2