3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-piperidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-piperidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[[4-(1-piperidyl)phenyl]methyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[[4-(1-piperidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(4-piperidin-1-ylphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-(4-piperidinobenzyl)thiourea Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-23(20(28)22-19-13-17(25(26)27)9-10-18(19)21)14-15-5-7-16(8-6-15)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,28)