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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N=C2N(C3=C(S2)C=C(C=C3)Cl)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N=C2N(C3=C(S2)C=C(C=C3)Cl)C

InChI

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