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

Systemtic Name: 1-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-anilino)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitroanilino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitroanilino)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-anilino)-3-(4-phenoxyphenyl)thiourea Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O6S2/c29-28(30)22-16-20(36(31,32)27-12-14-33-15-13-27)10-11-21(22)25-26-23(35)24-17-6-8-19(9-7-17)34-18-4-2-1-3-5-18/h1-11,16,25H,12-15H2,(H2,24,26,35)