4,5-dimethyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 2-[(3-isopentyloxybenzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 2-[(3-isoamoxybenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-11(2)8-9-26-15-7-5-6-14(10-15)18(25)22-20(27)23-19-16(17(21)24)12(3)13(4)28-19/h5-7,10-11H,8-9H2,1-4H3,(H2,21,24)(H2,22,23,25,27)