(E)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c26-19(9-6-15-4-2-1-3-5-15)23-20(28)24-21-22-17-8-7-16(14-18(17)29-21)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H2,22,23,24,26,28)/b9-6+