1-(5-nitropyridin-2-yl)-3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]thiourea

Systemtic Name: 1-(5-nitropyridin-2-yl)-3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]thiourea Openeye Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(5-nitro-2-pyridyl)thiourea CAS Name: 1-(5-nitro-2-pyridinyl)-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]thiourea IUPAC Name: 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(5-nitropyridin-2-yl)thiourea Traditional Name: 1-[2-(1-benzyl-4-piperidyl)ethyl]-3-(5-nitro-2-pyridyl)thiourea Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c26-25(27)18-6-7-19(22-14-18)23-20(28)21-11-8-16-9-12-24(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H2,21,22,23,28)