N-[6-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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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=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S2/c1-4-5-21(29)28-24-26-19-12-11-18(14-20(19)32-24)25-23(31)27-22(30)13-8-16-6-9-17(10-7-16)15(2)3/h6-15H,4-5H2,1-3H3,(H,26,28,29)(H2,25,27,30,31)/b13-8+