N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C19H17ClIN3OS2 MolecularWeight: 529.84525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C19H17ClIN3OS2/c1-2-3-4-11-5-8-15-16(9-11)27-19(22-15)24-18(26)23-17(25)13-10-12(21)6-7-14(13)20/h5-10H,2-4H2,1H3,(H2,22,23,24,25,26)