3-chloranyl-2-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 3-chloranyl-2-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)carbamothioylamino]-3-chloro-4-nitro-phenolate CAS Name: 3-chloro-2-[[[[[2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(1-benzyl-2,3-dimethylindole-5-carbonyl)carbamothioylamino]-3-chloro-4-nitrophenolate Traditional Name: 2-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)thiocarbamoylamino]-3-chloro-4-nitro-phenolate Formula: C25H20ClN4O4S- MolecularWeight: 507.9687

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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)/p-1