(3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N2O3S/c1-2-3-6-13-9-10-14-18(11-13)26-20(21-14)22-19(23)17-12-24-15-7-4-5-8-16(15)25-17/h4-5,7-11,17H,2-3,6,12H2,1H3,(H,21,22,23)/t17-/m0/s1