1-[1-(phenylmethyl)piperidin-4-yl]-3-(2,4,5-trimethylphenyl)thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-4-yl]-3-(2,4,5-trimethylphenyl)thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(2,4,5-trimethylphenyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,5-trimethylphenyl)thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trimethylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(2,4,5-trimethylphenyl)thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3S/c1-16-13-18(3)21(14-17(16)2)24-22(26)23-20-9-11-25(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H2,23,24,26)