2-morpholin-4-yl-5-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O4S2/c27-19(16-12-15(26(28)29)6-7-18(16)25-8-10-30-11-9-25)23-20(31)24-21-22-17(13-32-21)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,22,23,24,27,31)