N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H22N2O3S/c1-13(2)20(14-5-7-17-18(10-14)26-9-3-8-25-17)23-21(24)15-4-6-16-19(11-15)27-12-22-16/h4-7,10-13,20H,3,8-9H2,1-2H3,(H,23,24)/t20-/m0/s1