1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(4-methoxyphenyl)-2-piperidino-ethyl]thiourea Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCCC3

InChI

InChI=1S/C21H25ClN4O3S/c1-29-17-8-5-15(6-9-17)20(25-11-3-2-4-12-25)14-23-21(30)24-19-13-16(26(27)28)7-10-18(19)22/h5-10,13,20H,2-4,11-12,14H2,1H3,(H2,23,24,30)