N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S2/c24-17(20-11-5-6-11)10-28-19-22-14-8-7-12(9-16(14)29-19)21-18(25)13-3-1-2-4-15(13)23(26)27/h1-4,7-9,11H,5-6,10H2,(H,20,24)(H,21,25)