1,3-bis[(4-nitrophenyl)sulfonyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1,3-bis[(4-nitrophenyl)sulfonyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1,3-bis[(4-nitrophenyl)sulfonyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1,3-bis[(4-nitrophenyl)sulfonyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1,3-bis[(4-nitrophenyl)sulfonyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1,3-dinosyl-1-phenyl-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C28H24N4O11S3 MolecularWeight: 688.70536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N(C(=S)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N(C(=S)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H24N4O11S3/c1-41-25-17-22(18-26(42-2)27(25)43-3)30(46(39,40)24-15-11-21(12-16-24)32(35)36)28(44)29(19-7-5-4-6-8-19)45(37,38)23-13-9-20(10-14-23)31(33)34/h4-18H,1-3H3