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

Systemtic Name: 2-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-isopentyloxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[3-bromo-4-(3-methylbutoxy)benzoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-isoamoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C26H28BrN3O3S2 MolecularWeight: 574.55282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN3O3S2/c1-15(2)11-12-33-20-10-9-18(14-19(20)27)24(32)29-26(34)30-25-22(23(28)31)16(3)21(35-25)13-17-7-5-4-6-8-17/h4-10,14-15H,11-13H2,1-3H3,(H2,28,31)(H2,29,30,32,34)