N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-(p-tolylmethyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(4-methylbenzyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O3S/c1-14-3-5-15(6-4-14)11-17-13-22-21(27-17)23-20(24)16-7-8-18-19(12-16)26-10-2-9-25-18/h3-8,12-13H,2,9-11H2,1H3,(H,22,23,24)