[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-[2-keto-2-(4-nitrophenyl)ethyl]-1-methyl-3-phenyl-isothiourea Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3S/c1-25(16-18-8-4-2-5-9-18)23(24-20-10-6-3-7-11-20)30-17-22(27)19-12-14-21(15-13-19)26(28)29/h2-15H,16-17H2,1H3