4-methyl-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-isobutoxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-isobutoxybenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S2/c1-15(2)14-31-19-11-7-10-18(13-19)23(30)27-25(32)28-24-21(22(26)29)16(3)20(33-24)12-17-8-5-4-6-9-17/h4-11,13,15H,12,14H2,1-3H3,(H2,26,29)(H2,27,28,30,32)