1-(3-ethanoylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C21H25N3OS/c1-16(25)18-6-5-7-20(14-18)23-21(26)22-19-10-8-17(9-11-19)15-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,26)