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

Systemtic Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S2/c1-14(2)15-3-5-16(6-4-15)20(27)24-21(29)25-22-23-18-8-7-17(13-19(18)30-22)26-9-11-28-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,25,27,29)