N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C19H19N5O4S2/c1-11-12(2)30-18(15(11)10-20)22-19(29)21-17(25)14-9-13(24(26)27)3-4-16(14)23-5-7-28-8-6-23/h3-4,9H,5-8H2,1-2H3,(H2,21,22,25,29)