1-(4-methylphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]thiourea Openeye Name: 1-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(1R,5S)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]thiourea IUPAC Name: 1-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(p-tolyl)thiourea Formula: C22H27N3S MolecularWeight: 365.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2CC3CCC(C2)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)N3CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3S/c1-16-7-9-18(10-8-16)23-22(26)24-19-13-20-11-12-21(14-19)25(20)15-17-5-3-2-4-6-17/h2-10,19-21H,11-15H2,1H3,(H2,23,24,26)/t19?,20-,21+