4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide CAS Name: 4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Traditional Name: 4-(dimethylamino)-N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCO4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCO4)OC

InChI

InChI=1S/C21H23N3O4S/c1-24(2)14-6-4-13(5-7-14)20(25)23-21-22-18-16(26-3)9-8-15(19(18)29-21)17-12-27-10-11-28-17/h4-9,17H,10-12H2,1-3H3,(H,22,23,25)