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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S2/c1-9-10(2)25-16(14(9)15(19)23)21-17(24)20-13(22)8-5-11-3-6-12(18)7-4-11/h3-8H,1-2H3,(H2,19,23)(H2,20,21,22,24)/b8-5+