N-[6-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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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(O3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-2-6-22(30)29-25-27-19-12-9-17(15-21(19)34-25)26-24(33)28-23(31)14-11-18-10-13-20(32-18)16-7-4-3-5-8-16/h3-5,7-15H,2,6H2,1H3,(H,27,29,30)(H2,26,28,31,33)/b14-11+