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

Systemtic Name: 4-tert-butyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)C

InChI

InChI=1S/C21H23N3OS2/c1-13-6-11-16-17(12-13)27-20(24(16)5)23-19(26)22-18(25)14-7-9-15(10-8-14)21(2,3)4/h6-12H,1-5H3,(H,22,25,26)