(2S)-3-azanyl-N2-(2-bromanyl-4-methyl-phenyl)-N4-(2-ethoxyphenyl)-5-(3-methylphenyl)imino-2H-thiophene-2,4-dicarboxamide

Systemtic Name: (2S)-3-azanyl-N2-(2-bromanyl-4-methyl-phenyl)-N4-(2-ethoxyphenyl)-5-(3-methylphenyl)imino-2H-thiophene-2,4-dicarboxamide Openeye Name: (2S)-3-amino-N2-(2-bromo-4-methyl-phenyl)-N4-(2-ethoxyphenyl)-5-(m-tolylimino)-2H-thiophene-2,4-dicarboxamide CAS Name: (2S)-3-amino-N2-(2-bromo-4-methylphenyl)-N4-(2-ethoxyphenyl)-5-(3-methylphenyl)imino-2H-thiophene-2,4-dicarboxamide IUPAC Name: (2S)-3-amino-2-N-(2-bromo-4-methylphenyl)-4-N-(2-ethoxyphenyl)-5-(3-methylphenyl)imino-2H-thiophene-2,4-dicarboxamide Traditional Name: (2S)-3-amino-N-(2-bromo-4-methyl-phenyl)-5-(m-tolylimino)-N'-o-phenetyl-2H-thiophene-2,4-dicarboxamide Formula: C28H27BrN4O3S MolecularWeight: 579.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C(SC2=NC3=CC=CC(=C3)C)C(=O)NC4=C(C=C(C=C4)C)Br)N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C([C@H](SC2=NC3=CC=CC(=C3)C)C(=O)NC4=C(C=C(C=C4)C)Br)N

InChI

InChI=1S/C28H27BrN4O3S/c1-4-36-22-11-6-5-10-21(22)33-26(34)23-24(30)25(27(35)32-20-13-12-17(3)15-19(20)29)37-28(23)31-18-9-7-8-16(2)14-18/h5-15,25H,4,30H2,1-3H3,(H,32,35)(H,33,34)/t25-/m0/s1