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

Systemtic Name: N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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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=CO3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H18N4O3S2/c1-2-4-16(24)23-19-21-14-8-6-12(11-15(14)28-19)20-18(27)22-17(25)9-7-13-5-3-10-26-13/h3,5-11H,2,4H2,1H3,(H,21,23,24)(H2,20,22,25,27)/b9-7+