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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S2/c1-15-20(14-16-7-5-4-6-8-16)34-24(22(15)23(26)30)28-25(33)27-21(29)12-10-17-9-11-18(31-2)19(13-17)32-3/h4-13H,14H2,1-3H3,(H2,26,30)(H2,27,28,29,33)/b12-10+