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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 2-isobutoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 2-isobutoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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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=CC=C4OCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4OCC(C)C

InChI

InChI=1S/C26H25N3O2S2/c1-16(2)15-31-22-7-5-4-6-20(22)24(30)29-26(32)27-19-11-9-18(10-12-19)25-28-21-13-8-17(3)14-23(21)33-25/h4-14,16H,15H2,1-3H3,(H2,27,29,30,32)