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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

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