1-(2,4-dinitrophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea

Systemtic Name: 1-(2,4-dinitrophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-3-(2,4-dinitrophenyl)thiourea CAS Name: 1-[(E)-benzenesulfonylimino(phenyl)methyl]-3-(2,4-dinitrophenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(2,4-dinitrophenyl)thiourea Traditional Name: 1-[(E)-N-besyl-C-phenyl-carbonimidoyl]-3-(2,4-dinitrophenyl)thiourea Formula: C20H15N5O6S2 MolecularWeight: 485.493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O6S2/c26-24(27)15-11-12-17(18(13-15)25(28)29)21-20(32)22-19(14-7-3-1-4-8-14)23-33(30,31)16-9-5-2-6-10-16/h1-13H,(H2,21,22,23,32)