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

Systemtic Name: 1-(3-nitrophenyl)-3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]thiourea Openeye Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-(3-nitrophenyl)-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]thiourea IUPAC Name: 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(3-nitrophenyl)thiourea Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c26-25(27)20-8-4-7-19(15-20)23-21(28)22-12-9-17-10-13-24(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2,(H2,22,23,28)