N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H19N5O4S2/c1-12-2-4-15-17(10-12)31-20(21-15)23-19(30)22-18(26)14-11-13(25(27)28)3-5-16(14)24-6-8-29-9-7-24/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23,26,30)