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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-isopentyl-1-(1-isopropyl-4-piperidyl)thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidinyl)thiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-1-isoamyl-1-(1-isopropyl-4-piperidyl)thiourea Formula: C21H34ClN3OS MolecularWeight: 412.03216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)