2-[(6-nitro-1H-indol-2-yl)carbothioylamino]ethylcarbamic acid

Systemtic Name: 2-[(6-nitro-1H-indol-2-yl)carbothioylamino]ethylcarbamic acid Openeye Name: 2-[(6-nitro-1H-indole-2-carbothioyl)amino]ethylcarbamic acid CAS Name: 2-[[(6-nitro-1H-indol-2-yl)-sulfanylidenemethyl]amino]ethylcarbamic acid IUPAC Name: 2-[(6-nitro-1H-indole-2-carbothioyl)amino]ethylcarbamic acid Traditional Name: 2-[(6-nitro-1H-indole-2-carbothioyl)amino]ethylcarbamic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2)C(=S)NCCNC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2)C(=S)NCCNC(=O)O

InChI

InChI=1S/C12H12N4O4S/c17-12(18)14-4-3-13-11(21)10-5-7-1-2-8(16(19)20)6-9(7)15-10/h1-2,5-6,14-15H,3-4H2,(H,13,21)(H,17,18)