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

Systemtic Name: N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)thiocarbamoyl]-4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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