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

Systemtic Name: 3-bromanyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H24BrN3O2S2 MolecularWeight: 554.52166

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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)OCC(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)OCC(C)C)Br

InChI

InChI=1S/C26H24BrN3O2S2/c1-15(2)14-32-22-11-7-18(13-20(22)27)24(31)30-26(33)28-19-8-5-17(6-9-19)25-29-21-10-4-16(3)12-23(21)34-25/h4-13,15H,14H2,1-3H3,(H2,28,30,31,33)