N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexanamide Openeye Name: N-[[5-[(E)-3-(2-furyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]hexanamide CAS Name: N-[[[5-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexanamide Traditional Name: N-[[5-[(E)-3-(2-furyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]hexanamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)C=CC2=CC=CO2)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)/C=C/C2=CC=CO2)C

InChI

InChI=1S/C18H21N3O3S2/c1-3-4-5-8-15(23)20-17(25)21-18-19-12(2)16(26-18)14(22)10-9-13-7-6-11-24-13/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,20,21,23,25)/b10-9+