4-iodanyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-iodanyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-iodo-N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C16H12IN3O2S2 MolecularWeight: 469.31985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H12IN3O2S2/c1-22-11-6-7-12-13(8-11)24-16(18-12)20-15(23)19-14(21)9-2-4-10(17)5-3-9/h2-8H,1H3,(H2,18,19,20,21,23)