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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C23H20ClN3O2S2 MolecularWeight: 470.0068

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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)Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O2S2/c1-14-18(13-16-5-3-2-4-6-16)31-22(20(14)21(25)29)27-23(30)26-19(28)12-9-15-7-10-17(24)11-8-15/h2-12H,13H2,1H3,(H2,25,29)(H2,26,27,28,30)/b12-9+