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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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