4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S2/c1-2-31-17-6-3-13(11-16(17)26(28)29)19(27)23-20(32)24-21-22-15-5-4-14(12-18(15)33-21)25-7-9-30-10-8-25/h3-6,11-12H,2,7-10H2,1H3,(H2,22,23,24,27,32)