4-ethyl-5-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C16H17N3O2S3 MolecularWeight: 379.52008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C=CC2=CC=CS2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)/C=C/C2=CC=CS2)C

InChI

InChI=1S/C16H17N3O2S3/c1-3-11-9(2)24-15(13(11)14(17)21)19-16(22)18-12(20)7-6-10-5-4-8-23-10/h4-8H,3H2,1-2H3,(H2,17,21)(H2,18,19,20,22)/b7-6+