N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-2-morpholino-5-nitro-benzamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N5O4S2/c25-17(21-18(29)22-19-20-14-3-1-2-4-16(14)30-19)13-11-12(24(26)27)5-6-15(13)23-7-9-28-10-8-23/h1-6,11H,7-10H2,(H2,20,21,22,25,29)