4-tert-butyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H20ClN3OS2/c1-11-9-16-15(10-14(11)21)22-19(27-16)24-18(26)23-17(25)12-5-7-13(8-6-12)20(2,3)4/h5-10H,1-4H3,(H2,22,23,24,25,26)