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

Systemtic Name: 3-methyl-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-methyl-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-methyl-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-methyl-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H20N4O2S2/c1-13-3-2-4-14(11-13)18(25)22-19(27)23-20-21-16-6-5-15(12-17(16)28-20)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23,25,27)