2-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H20N4O4S/c1-13-16(3-2-4-17(13)23(25)26)18(24)21-19(28)20-14-5-7-15(8-6-14)22-9-11-27-12-10-22/h2-8H,9-12H2,1H3,(H2,20,21,24,28)