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

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

InChI

InChI=1S/C21H27N3O3S2/c1-4-5-6-7-12-27-16-10-8-15(9-11-16)19(26)23-21(28)24-20-17(18(22)25)13(2)14(3)29-20/h8-11H,4-7,12H2,1-3H3,(H2,22,25)(H2,23,24,26,28)