1-(3-chlorophenyl)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)thiourea CAS Name: 1-(3-chlorophenyl)-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)thiourea Traditional Name: 1-(3-chlorophenyl)-3-(2-nitro-4-pyrrolidinosulfonyl-anilino)thiourea Formula: C17H18ClN5O4S2 MolecularWeight: 455.93892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O4S2/c18-12-4-3-5-13(10-12)19-17(28)21-20-15-7-6-14(11-16(15)23(24)25)29(26,27)22-8-1-2-9-22/h3-7,10-11,20H,1-2,8-9H2,(H2,19,21,28)