1-(3-cyanophenyl)-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]thiourea

Systemtic Name: 1-(3-cyanophenyl)-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]thiourea Openeye Name: 1-(3-cyanophenyl)-3-[2-[1-[(3-nitrophenyl)methyl]-4-piperidyl]ethyl]thiourea CAS Name: 1-(3-cyanophenyl)-3-[2-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]ethyl]thiourea IUPAC Name: 1-(3-cyanophenyl)-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]thiourea Traditional Name: 1-(3-cyanophenyl)-3-[2-[1-(3-nitrobenzyl)-4-piperidyl]ethyl]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC2=CC=CC(=C2)C#N)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC2=CC=CC(=C2)C#N)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2S/c23-15-18-3-1-5-20(13-18)25-22(30)24-10-7-17-8-11-26(12-9-17)16-19-4-2-6-21(14-19)27(28)29/h1-6,13-14,17H,7-12,16H2,(H2,24,25,30)