N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S2/c1-9-6-14-13(7-12(9)18)19-17(28-14)21-16(27)20-15(23)8-26-11-4-2-10(3-5-11)22(24)25/h2-7H,8H2,1H3,(H2,19,20,21,23,27)