methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-sec-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-butan-2-ylanilino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(2-sec-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

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