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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-4-yl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidinyl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[2-(phenylthio)ethyl]thiourea Formula: C21H27N3S2 MolecularWeight: 385.58918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NCCSC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=S)NCCSC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S2/c25-21(22-13-16-26-20-9-5-2-6-10-20)23-19-11-14-24(15-12-19)17-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H2,22,23,25)