1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(2-chloro-4,6-dimethyl-phenyl)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(2-chloro-4,6-dimethylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(2-chloro-4,6-dimethyl-phenyl)thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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