(3R)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[3-(1-imidazolyl)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3C=CN=C3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3C=CN=C3)C(=O)[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O3S/c1-16-7-8-17-21(13-16)31-23(25-17)27(11-4-10-26-12-9-24-15-26)22(28)20-14-29-18-5-2-3-6-19(18)30-20/h2-3,5-9,12-13,15,20H,4,10-11,14H2,1H3/t20-/m1/s1