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

Systemtic Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]coumarilamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H18N4O3S2/c26-19(17-11-13-3-1-2-4-16(13)28-17)23-20(29)24-21-22-15-6-5-14(12-18(15)30-21)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H2,22,23,24,26,29)