N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[(2-morpholino-3-pyridyl)methyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[(2-morpholino-3-pyridyl)methyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2S/c26-19(17-14-23-20(28)25(17)16-6-2-1-3-7-16)22-13-15-5-4-8-21-18(15)24-9-11-27-12-10-24/h1-8,14H,9-13H2,(H,22,26)(H,23,28)