4-ethenyl-3-methyl-5-methylsulfanyl-N-[(4-pentoxyphenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: 4-ethenyl-3-methyl-5-methylsulfanyl-N-[(4-pentoxyphenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: 3-methyl-5-methylsulfanyl-N-[(4-pentoxyphenyl)carbamothioyl]-4-vinyl-thiophene-2-carboxamide CAS Name: 4-ethenyl-3-methyl-5-(methylthio)-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: 4-ethenyl-3-methyl-5-methylsulfanyl-N-[(4-pentoxyphenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-methyl-5-(methylthio)-4-vinyl-thiophene-2-carboxamide Formula: C21H26N2O2S3 MolecularWeight: 434.63834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=C(S2)SC)C=C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=C(S2)SC)C=C)C

InChI

InChI=1S/C21H26N2O2S3/c1-5-7-8-13-25-16-11-9-15(10-12-16)22-21(26)23-19(24)18-14(3)17(6-2)20(27-4)28-18/h6,9-12H,2,5,7-8,13H2,1,3-4H3,(H2,22,23,24,26)