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

Systemtic Name: 2-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(5-bromo-2-phenethyloxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C29H26BrN3O3S2 MolecularWeight: 608.56904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H26BrN3O3S2/c1-18-24(16-20-10-6-3-7-11-20)38-28(25(18)26(31)34)33-29(37)32-27(35)22-17-21(30)12-13-23(22)36-15-14-19-8-4-2-5-9-19/h2-13,17H,14-16H2,1H3,(H2,31,34)(H2,32,33,35,37)