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

Systemtic Name: 1-(1-methylpiperidin-4-yl)-3-(3-methyl-2-propan-2-yl-phenyl)-1-phenethyl-thiourea Openeye Name: 3-(2-isopropyl-3-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 1-(1-methyl-4-piperidinyl)-3-(3-methyl-2-propan-2-ylphenyl)-1-phenethylthiourea IUPAC Name: 1-(1-methylpiperidin-4-yl)-3-(3-methyl-2-propan-2-ylphenyl)-1-phenethylthiourea Traditional Name: 3-(2-isopropyl-3-methyl-phenyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C25H35N3S MolecularWeight: 409.6305

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3S/c1-19(2)24-20(3)9-8-12-23(24)26-25(29)28(22-14-16-27(4)17-15-22)18-13-21-10-6-5-7-11-21/h5-12,19,22H,13-18H2,1-4H3,(H,26,29)