1-(2-chloranyl-5-nitro-phenyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[4-(2-ketopyrrolidino)benzyl]thiourea Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O3S/c19-15-8-7-14(23(25)26)10-16(15)21-18(27)20-11-12-3-5-13(6-4-12)22-9-1-2-17(22)24/h3-8,10H,1-2,9,11H2,(H2,20,21,27)