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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]thiourea Formula: C24H33N3OS MolecularWeight: 411.60332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCC3

InChI

InChI=1S/C24H33N3OS/c1-3-4-7-19-8-12-21(13-9-19)26-24(29)25-18-23(27-16-5-6-17-27)20-10-14-22(28-2)15-11-20/h8-15,23H,3-7,16-18H2,1-2H3,(H2,25,26,29)