3-(2-nitrophenyl)-1-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2-nitrophenyl)-1-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-nitrophenyl)-1-(1-phenethyl-4-piperidyl)thiourea CAS Name: 3-(2-nitrophenyl)-1-(1-phenethyl-4-piperidinyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-nitrophenyl)-1-(1-phenethylpiperidin-4-yl)thiourea Traditional Name: 1-benzyl-3-(2-nitrophenyl)-1-(1-phenethyl-4-piperidyl)thiourea Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S/c32-31(33)26-14-8-7-13-25(26)28-27(34)30(21-23-11-5-2-6-12-23)24-16-19-29(20-17-24)18-15-22-9-3-1-4-10-22/h1-14,24H,15-21H2,(H,28,34)