3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[[2-(1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-(2-pyrrolidinobenzyl)thiourea Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-22(13-14-6-2-3-7-18(14)23-10-4-5-11-23)19(27)21-17-12-15(24(25)26)8-9-16(17)20/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,27)