1-(4-methylphenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[[2-(1-piperidylmethyl)phenyl]methyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[2-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(piperidinomethyl)benzyl]-3-(p-tolyl)thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2CN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2CN3CCCCC3

InChI

InChI=1S/C21H27N3S/c1-17-9-11-20(12-10-17)23-21(25)22-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,22,23,25)