1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-4-piperidyl]-3-(3,5-dimethylphenyl)thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H26ClN3S/c1-15-11-16(2)13-20(12-15)24-21(26)23-19-7-9-25(10-8-19)14-17-3-5-18(22)6-4-17/h3-6,11-13,19H,7-10,14H2,1-2H3,(H2,23,24,26)