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

Systemtic Name: methyl 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-11-14(10-21)17(28-15(11)18(25)26-5)23-19(27)22-16(24)12-6-8-13(9-7-12)20(2,3)4/h6-9H,1-5H3,(H2,22,23,24,27)