4-ethyl-5-methyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O2S2/c1-3-15-12(2)28-20(18(15)19(22)26)24-21(27)23-17(25)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11H2,1-2H3,(H2,22,26)(H2,23,24,25,27)