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

Systemtic Name: N-[(2,3-dimethylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2,3-dimethylphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2,3-dimethylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2,3-dimethylphenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-13-4-3-5-16(14(13)2)21-20(29)22-19(25)15-6-7-17(18(12-15)24(26)27)23-8-10-28-11-9-23/h3-7,12H,8-11H2,1-2H3,(H2,21,22,25,29)