N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C#N

InChI

InChI=1S/C21H21N5O4S2/c22-12-16-14-3-1-2-4-18(14)32-20(16)24-21(31)23-19(27)15-11-13(26(28)29)5-6-17(15)25-7-9-30-10-8-25/h5-6,11H,1-4,7-10H2,(H2,23,24,27,31)