N-[6-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S2/c1-2-6-18(26)25-21-23-16-11-10-15(13-17(16)29-21)22-20(28)24-19(27)12-9-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3,(H,23,25,26)(H2,22,24,27,28)/b12-9+