N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(2-nitrophenoxy)acetamide Formula: C16H11ClN4O4S2 MolecularWeight: 422.86594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN4O4S2/c17-9-5-6-10-13(7-9)27-16(18-10)20-15(26)19-14(22)8-25-12-4-2-1-3-11(12)21(23)24/h1-7H,8H2,(H2,18,19,20,22,26)