3-(2,5-dimethoxyphenyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-3-(2,5-dimethoxyphenyl)-1-ethyl-thiourea CAS Name: 3-(2,5-dimethoxyphenyl)-1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-3-(2,5-dimethoxyphenyl)-1-ethylthiourea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-3-(2,5-dimethoxyphenyl)-1-ethyl-thiourea Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O2S/c1-4-25(18-12-13-24(16-18)15-17-8-6-5-7-9-17)22(28)23-20-14-19(26-2)10-11-21(20)27-3/h5-11,14,18H,4,12-13,15-16H2,1-3H3,(H,23,28)