3-(5-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-isopentyl-1-(1-isopropyl-4-piperidyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidinyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-isoamyl-1-(1-isopropyl-4-piperidyl)thiourea Formula: C21H34ClN3S MolecularWeight: 396.03276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C

InChI

InChI=1S/C21H34ClN3S/c1-15(2)8-13-25(19-9-11-24(12-10-19)16(3)4)21(26)23-20-14-18(22)7-6-17(20)5/h6-7,14-16,19H,8-13H2,1-5H3,(H,23,26)