1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-benzyl-3-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]thiourea Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-25-19-11-9-18(10-12-19)20(24-13-5-6-14-24)16-23-21(26)22-15-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-16H2,1H3,(H2,22,23,26)