N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O4S/c1-11-9-12(2)20-17(19-11)22-18(29)21-16(25)13-3-4-14(15(10-13)24(26)27)23-5-7-28-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,25,29)