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

Systemtic Name: N-[(4-iodophenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[(4-iodoanilino)-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(4-iodophenyl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C25H22IN3OS MolecularWeight: 539.43115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)I)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)I)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H22IN3OS/c1-16-17(2)29(15-18-6-4-3-5-7-18)23-13-8-19(14-22(16)23)24(30)28-25(31)27-21-11-9-20(26)10-12-21/h3-14H,15H2,1-2H3,(H2,27,28,30,31)