[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N'-butyl-N-[(2-oxidanylideneindol-3-yl)amino]carbamimidothioate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N'-butyl-N-[(2-oxidanylideneindol-3-yl)amino]carbamimidothioate Openeye Name: 3-butyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]-1-[(2-oxoindol-3-yl)amino]isothiourea CAS Name: N'-butyl-N-[(2-oxo-3-indolyl)amino]carbamimidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N'-butyl-N-[(2-oxoindol-3-yl)amino]carbamimidothioate Traditional Name: 3-butyl-1-[(2-ketoindol-3-yl)amino]-2-[2-keto-2-(4-nitrophenyl)ethyl]isothiourea Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NNC1=C2C=CC=CC2=NC1=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN=C(NNC1=C2C=CC=CC2=NC1=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-2-3-12-22-21(25-24-19-16-6-4-5-7-17(16)23-20(19)28)31-13-18(27)14-8-10-15(11-9-14)26(29)30/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,23,24,28)