methyl 2-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-methoxy-6-oxohexyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-12(2)10-13-11-26-16(15(13)17(22)24-4)20-18(25)19-9-7-5-6-8-14(21)23-3/h11-12H,5-10H2,1-4H3,(H2,19,20,25)