3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methyl-2-phenylazanyl-1,3-thiazol-5-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methyl-2-phenylazanyl-1,3-thiazol-5-yl)methanone Openeye Name: (2-anilino-4-methyl-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: (2-anilino-4-methyl-5-thiazolyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: (2-anilino-4-methyl-1,3-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: (2-anilino-4-methyl-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H18N2O3S/c1-13-19(26-20(21-13)22-15-6-3-2-4-7-15)18(23)14-8-9-16-17(12-14)25-11-5-10-24-16/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,22)