N-[(2-cyanophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N5O4S/c20-12-13-3-1-2-4-16(13)21-19(29)22-18(25)15-11-14(24(26)27)5-6-17(15)23-7-9-28-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25,29)