4,5-dimethyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[(4-phenylbenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[(4-phenylbenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[(4-phenylbenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-12-13(2)28-20(17(12)18(22)25)24-21(27)23-19(26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,22,25)(H2,23,24,26,27)