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4-nitro-2-[[(4-propan-2-ylphenyl)carbamothioylamino]methyl]phenolate
4-nitro-2-[[(4-propan-2-ylphenyl)carbamothioylamino]methyl]phenolate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)C1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]
Isomeric SMILES
CC(C)C1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]
InChI
InChI=1S/C17H19N3O3S/c1-11(2)12-3-5-14(6-4-12)19-17(24)18-10-13-9-15(20(22)23)7-8-16(13)21/h3-9,11,21H,10H2,1-2H3,(H2,18,19,24)/p-1
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