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

Systemtic Name: 4-tert-butyl-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C19H18ClN3OS2/c1-19(2,3)12-9-7-11(8-10-12)16(24)22-17(25)23-18-21-15-13(20)5-4-6-14(15)26-18/h4-10H,1-3H3,(H2,21,22,23,24,25)