1-(2,4-dichlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]thiourea

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]thiourea Openeye Name: 1-(2,4-dichlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)thiourea CAS Name: 1-(2,4-dichlorophenyl)-3-[2-(4-morpholinylsulfonyl)-4-nitroanilino]thiourea IUPAC Name: 1-(2,4-dichlorophenyl)-3-(2-morpholin-4-ylsulfonyl-4-nitroanilino)thiourea Traditional Name: 1-(2,4-dichlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)thiourea Formula: C17H17Cl2N5O5S2 MolecularWeight: 506.38338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N5O5S2/c18-11-1-3-14(13(19)9-11)20-17(30)22-21-15-4-2-12(24(25)26)10-16(15)31(27,28)23-5-7-29-8-6-23/h1-4,9-10,21H,5-8H2,(H2,20,22,30)