3,4,5-triethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H30N4O5S2/c1-4-32-19-13-16(14-20(33-5-2)22(19)34-6-3)23(30)27-24(35)28-25-26-18-8-7-17(15-21(18)36-25)29-9-11-31-12-10-29/h7-8,13-15H,4-6,9-12H2,1-3H3,(H2,26,27,28,30,35)