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

Systemtic Name: 4,5-dimethyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[(4-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[(4-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

InChI

InChI=1S/C20H25N3O3S2/c1-4-5-6-11-26-15-9-7-14(8-10-15)18(25)22-20(27)23-19-16(17(21)24)12(2)13(3)28-19/h7-10H,4-6,11H2,1-3H3,(H2,21,24)(H2,22,23,25,27)