N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19N3O3S/c1-12-5-3-6-13(2)17(12)19-22-23-20(27-19)21-18(24)14-7-8-15-16(11-14)26-10-4-9-25-15/h3,5-8,11H,4,9-10H2,1-2H3,(H,21,23,24)