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

Systemtic Name: 6-chloranyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(2-methylthiazol-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(2-methyl-4-thiazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(2-methylthiazol-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H17ClN2O3S/c1-12-22-17(11-27-12)13-4-2-5-15(8-13)23-20(24)14-9-16(21)19-18(10-14)25-6-3-7-26-19/h2,4-5,8-11H,3,6-7H2,1H3,(H,23,24)