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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H24BrN3OS2 MolecularWeight: 538.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)C(C)(C)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)C(C)(C)C)Br

InChI

InChI=1S/C26H24BrN3OS2/c1-15-5-12-21-22(13-15)33-24(29-21)16-6-9-18(10-7-16)28-25(32)30-23(31)17-8-11-19(20(27)14-17)26(2,3)4/h5-14H,1-4H3,(H2,28,30,31,32)