1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-3-(4-nitrophenyl)thiourea Formula: C21H25N5O5S2 MolecularWeight: 491.5837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S2/c27-26(28)17-5-3-16(4-6-17)22-21(32)23-19-15-18(7-8-20(19)24-9-1-2-10-24)33(29,30)25-11-13-31-14-12-25/h3-8,15H,1-2,9-14H2,(H2,22,23,32)