1-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea

Systemtic Name: 1-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Openeye Name: 1-(2-morpholinoethyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Traditional Name: 1-(2-morpholinoethyl)-3-(4-nitrophenyl)-1,3-dinosyl-thiourea Formula: C25H24N6O11S3 MolecularWeight: 680.68666

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])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/C25H24N6O11S3/c32-29(33)20-3-1-19(2-4-20)28(45(40,41)24-11-7-22(8-12-24)31(36)37)25(43)27(14-13-26-15-17-42-18-16-26)44(38,39)23-9-5-21(6-10-23)30(34)35/h1-12H,13-18H2