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

Systemtic Name: 3-butoxy-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-3-5-8-16-11-12-19-20(14-16)30-23(24-19)26-22(29)25-21(27)17-9-7-10-18(15-17)28-13-6-4-2/h7,9-12,14-15H,3-6,8,13H2,1-2H3,(H2,24,25,26,27,29)