N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O4S/c1-15-21(16-6-3-2-4-7-16)22-23(32-15)25-14-27(24(22)29)13-20(28)26-17-8-9-18-19(12-17)31-11-5-10-30-18/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,28)