methyl 2-[di(butan-2-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(disec-butylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(disec-butylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C21H35N3O3S2/c1-9-13(5)24(14(6)10-2)21(28)22-18-16(20(26)27-8)15(7)17(29-18)19(25)23(11-3)12-4/h13-14H,9-12H2,1-8H3,(H,22,28)