3-(2-chloranyl-3-methyl-phenyl)-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea

Systemtic Name: 3-(2-chloranyl-3-methyl-phenyl)-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea Openeye Name: 3-(2-chloro-3-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 3-(2-chloro-3-methylphenyl)-1-(1-methyl-4-piperidinyl)-1-phenethylthiourea IUPAC Name: 3-(2-chloro-3-methylphenyl)-1-(1-methylpiperidin-4-yl)-1-phenethylthiourea Traditional Name: 3-(2-chloro-3-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CCC2=CC=CC=C2)C3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CCC2=CC=CC=C2)C3CCN(CC3)C)Cl

InChI

InChI=1S/C22H28ClN3S/c1-17-7-6-10-20(21(17)23)24-22(27)26(19-12-14-25(2)15-13-19)16-11-18-8-4-3-5-9-18/h3-10,19H,11-16H2,1-2H3,(H,24,27)