N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H17Cl2N3OS2 MolecularWeight: 438.39378

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3OS2/c1-19(2,3)11-6-4-10(5-7-11)16(25)23-17(26)24-18-22-15-13(27-18)9-8-12(20)14(15)21/h4-9H,1-3H3,(H2,22,23,24,25,26)