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

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O3S/c1-13-4-5-14(2)16(10-13)17-12-27-21(22-17)23-20(24)15-6-7-18-19(11-15)26-9-3-8-25-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23,24)