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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-iodo-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-iodobenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-iodobenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-iodo-benzamide Formula: C19H18IN3OS2 MolecularWeight: 495.40019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN3OS2/c1-2-3-4-12-5-10-15-16(11-12)26-19(21-15)23-18(25)22-17(24)13-6-8-14(20)9-7-13/h5-11H,2-4H2,1H3,(H2,21,22,23,24,25)