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

Systemtic Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H19N5O5S2 MolecularWeight: 473.52536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S2/c1-29-13-3-4-14-17(11-13)32-20(21-14)23-19(31)22-18(26)12-2-5-15(16(10-12)25(27)28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23,26,31)