1-(2-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(2-nitrophenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-nitrophenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c22-21(23)16-6-2-1-5-15(16)19-17(26)18-13-7-9-14(10-8-13)27(24,25)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2,(H2,18,19,26)