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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H18ClN3O4S/c1-12(26)23-15-5-3-13(4-6-15)17-11-30-21(24-17)25-20(27)14-9-16(22)19-18(10-14)28-7-2-8-29-19/h3-6,9-11H,2,7-8H2,1H3,(H,23,26)(H,24,25,27)