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

Systemtic Name: 4,5-dimethyl-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 2-[(3-isobutoxybenzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 2-[(3-isobutoxybenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-10(2)9-25-14-7-5-6-13(8-14)17(24)21-19(26)22-18-15(16(20)23)11(3)12(4)27-18/h5-8,10H,9H2,1-4H3,(H2,20,23)(H2,21,22,24,26)