(2S)-3-azanyl-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazin-1-yl)carbonyl-2H-thiophene-2-carboxamide

Systemtic Name: (2S)-3-azanyl-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazin-1-yl)carbonyl-2H-thiophene-2-carboxamide Openeye Name: (2S)-3-amino-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazine-1-carbonyl)-2H-thiophene-2-carboxamide CAS Name: (2S)-3-amino-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2H-thiophene-2-carboxamide IUPAC Name: (2S)-3-amino-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazine-1-carbonyl)-2H-thiophene-2-carboxamide Traditional Name: (2S)-3-amino-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazine-1-carbonyl)-2H-thiophene-2-carboxamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C(SC2=NCCOC)C(=O)NC3=CC=CC(=C3)C#N)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C([C@H](SC2=NCCOC)C(=O)NC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C21H26N6O3S/c1-26-7-9-27(10-8-26)21(29)16-17(23)18(31-20(16)24-6-11-30-2)19(28)25-15-5-3-4-14(12-15)13-22/h3-5,12,18H,6-11,23H2,1-2H3,(H,25,28)/t18-/m0/s1