(3-nitro-6-oxidanyl-1-phenyl-indol-2-yl)methyl carbamimidothioate

Systemtic Name: (3-nitro-6-oxidanyl-1-phenyl-indol-2-yl)methyl carbamimidothioate Openeye Name: 2-[(6-hydroxy-3-nitro-1-phenyl-indol-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (6-hydroxy-3-nitro-1-phenyl-2-indolyl)methyl ester IUPAC Name: (6-hydroxy-3-nitro-1-phenylindol-2-yl)methyl carbamimidothioate Traditional Name: 2-[(6-hydroxy-3-nitro-1-phenyl-indol-2-yl)methyl]isothiourea Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)O)C(=C2CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)O)C(=C2CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c17-16(18)24-9-14-15(20(22)23)12-7-6-11(21)8-13(12)19(14)10-4-2-1-3-5-10/h1-8,21H,9H2,(H3,17,18)