(2S)-3-azanyl-N2-(2-bromanyl-4-methyl-phenyl)-5-methylimino-N4-(2-morpholin-4-ylethyl)-2H-thiophene-2,4-dicarboxamide

Systemtic Name: (2S)-3-azanyl-N2-(2-bromanyl-4-methyl-phenyl)-5-methylimino-N4-(2-morpholin-4-ylethyl)-2H-thiophene-2,4-dicarboxamide Openeye Name: (2S)-3-amino-N2-(2-bromo-4-methyl-phenyl)-5-methylimino-N4-(2-morpholinoethyl)-2H-thiophene-2,4-dicarboxamide CAS Name: (2S)-3-amino-N2-(2-bromo-4-methylphenyl)-5-methylimino-N4-[2-(4-morpholinyl)ethyl]-2H-thiophene-2,4-dicarboxamide IUPAC Name: (2S)-3-amino-2-N-(2-bromo-4-methylphenyl)-5-methylimino-4-N-(2-morpholin-4-ylethyl)-2H-thiophene-2,4-dicarboxamide Traditional Name: (2S)-3-amino-N-(2-bromo-4-methyl-phenyl)-5-methylimino-N'-(2-morpholinoethyl)-2H-thiophene-2,4-dicarboxamide Formula: C20H26BrN5O3S MolecularWeight: 496.42114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2C(=C(C(=NC)S2)C(=O)NCCN3CCOCC3)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H]2C(=C(C(=NC)S2)C(=O)NCCN3CCOCC3)N)Br

InChI

InChI=1S/C20H26BrN5O3S/c1-12-3-4-14(13(21)11-12)25-19(28)17-16(22)15(20(23-2)30-17)18(27)24-5-6-26-7-9-29-10-8-26/h3-4,11,17H,5-10,22H2,1-2H3,(H,24,27)(H,25,28)/t17-/m0/s1