N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-thiazole-5-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-5-thiazolecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenyl-thiazole-5-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-14(16-8-9-17-18(12-16)26-11-5-10-25-17)23-20(24)19-13-22-21(27-19)15-6-3-2-4-7-15/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,23,24)