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

Systemtic Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4S/c1-4-35-21-11-12-23(25(15-21)31(33)34)28-27(36)29-26(32)20-10-13-24-22(14-20)17(2)18(3)30(24)16-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3,(H2,28,29,32,36)