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

Systemtic Name: N-[(2-chloranyl-3-nitro-6-oxidanyl-phenyl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(2-chloro-6-hydroxy-3-nitro-phenyl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[(2-chloro-6-hydroxy-3-nitroanilino)-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(2-chloro-6-hydroxy-3-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(2-chloro-6-hydroxy-3-nitro-phenyl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3Cl)[N+](=O)[O-])O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3Cl)[N+](=O)[O-])O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H21ClN4O4S/c1-14-15(2)29(13-16-6-4-3-5-7-16)19-9-8-17(12-18(14)19)24(32)28-25(35)27-23-21(31)11-10-20(22(23)26)30(33)34/h3-12,31H,13H2,1-2H3,(H2,27,28,32,35)