1-(3,5-dimethylphenyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[[4-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[4-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-(piperidinomethyl)benzyl]thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)CN3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)CN3CCCCC3)C

InChI

InChI=1S/C22H29N3S/c1-17-12-18(2)14-21(13-17)24-22(26)23-15-19-6-8-20(9-7-19)16-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H2,23,24,26)