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

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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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)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C25H25N3O3S2/c1-3-31-19-12-9-17(10-13-19)11-14-21(29)27-25(32)28-24-22(23(26)30)16(2)20(33-24)15-18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H2,26,30)(H2,27,28,29,32)/b14-11+