6-chloranyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(p-tolylmethyl)thiazol-2-ylidene]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-[(4-methylphenyl)methyl]-2-thiazolylidene]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H19ClN2O3S/c1-14-3-5-15(6-4-14)13-24-7-10-28-21(24)23-20(25)16-11-17(22)19-18(12-16)26-8-2-9-27-19/h3-7,10-12H,2,8-9,13H2,1H3