N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S2/c1-14(2)29-17-5-3-4-15(12-17)20(27)24-21(30)25-22-23-18-7-6-16(13-19(18)31-22)26-8-10-28-11-9-26/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24,25,27,30)