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

Systemtic Name: 4-methyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-isopentyloxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-isoamoxybenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S2/c1-16(2)12-13-32-20-11-7-10-19(15-20)24(31)28-26(33)29-25-22(23(27)30)17(3)21(34-25)14-18-8-5-4-6-9-18/h4-11,15-16H,12-14H2,1-3H3,(H2,27,30)(H2,28,29,31,33)