N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(2-bromo-4-methylphenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C26H24BrN3OS MolecularWeight: 506.45726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)Br

InChI

InChI=1S/C26H24BrN3OS/c1-16-9-11-23(22(27)13-16)28-26(32)29-25(31)20-10-12-24-21(14-20)17(2)18(3)30(24)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H2,28,29,31,32)