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

Systemtic Name: 4-butoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H26N4O3S2/c1-2-3-12-30-18-7-4-16(5-8-18)21(28)25-22(31)26-23-24-19-9-6-17(15-20(19)32-23)27-10-13-29-14-11-27/h4-9,15H,2-3,10-14H2,1H3,(H2,24,25,26,28,31)