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

Systemtic Name: 4-tert-butyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C23H27N3OS2 MolecularWeight: 425.60998

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS2/c1-5-6-7-15-8-13-18-19(14-15)29-22(24-18)26-21(28)25-20(27)16-9-11-17(12-10-16)23(2,3)4/h8-14H,5-7H2,1-4H3,(H2,24,25,26,27,28)