N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide

Systemtic Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3S/c1-16-12-17(2)25(24(13-16)31(33)34)28-27(35)29-26(32)21-10-11-23-22(14-21)18(3)19(4)30(23)15-20-8-6-5-7-9-20/h5-14H,15H2,1-4H3,(H2,28,29,32,35)