(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylprop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-acrylamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O3S/c1-23(14-20-22-16-5-2-3-6-19(16)27-20)21(24)10-8-15-7-9-17-18(13-15)26-12-4-11-25-17/h2-3,5-10,13H,4,11-12,14H2,1H3/b10-8+