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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-[(2-oxidanylideneindol-3-yl)amino]-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]-1-[(2-oxoindol-3-yl)amino]isothiourea CAS Name: N-[(2-oxo-3-indolyl)amino]-N'-prop-2-enylcarbamimidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N-[(2-oxoindol-3-yl)amino]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-[(2-ketoindol-3-yl)amino]-2-[2-keto-2-(4-nitrophenyl)ethyl]isothiourea Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S/c1-2-11-21-20(24-23-18-15-5-3-4-6-16(15)22-19(18)27)30-12-17(26)13-7-9-14(10-8-13)25(28)29/h2-10H,1,11-12H2,(H,21,24)(H,22,23,27)