4-ethyl-5-methyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[(4-phenylbenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[(4-phenylbenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[(4-phenylbenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O2S2/c1-3-17-13(2)29-21(18(17)19(23)26)25-22(28)24-20(27)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,23,26)(H2,24,25,27,28)