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

Systemtic Name: 3-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3OS2/c1-2-3-5-12-8-9-15-16(10-12)26-19(21-15)23-18(25)22-17(24)13-6-4-7-14(20)11-13/h4,6-11H,2-3,5H2,1H3,(H2,21,22,23,24,25)