2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

InChI

InChI=1S/C19H21N3O3S2/c1-4-25-14-8-5-13(6-9-14)7-10-15(23)21-19(26)22-18-16(17(20)24)11(2)12(3)27-18/h5-10H,4H2,1-3H3,(H2,20,24)(H2,21,22,23,26)/b10-7+