methyl 5-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(4-butoxybenzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-butoxybenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-butoxybenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N

InChI

InChI=1S/C20H21N3O4S2/c1-4-5-10-27-14-8-6-13(7-9-14)17(24)22-20(28)23-18-15(11-21)12(2)16(29-18)19(25)26-3/h6-9H,4-5,10H2,1-3H3,(H2,22,23,24,28)