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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-(1-benzyl-4-piperidyl)thiourea CAS Name: 1-(3-acetylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(1-benzylpiperidin-4-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-(1-benzyl-4-piperidyl)thiourea Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-16(25)18-8-5-9-20(14-18)23-21(26)22-19-10-12-24(13-11-19)15-17-6-3-2-4-7-17/h2-9,14,19H,10-13,15H2,1H3,(H2,22,23,26)