3-[(3,4-dichlorophenyl)methyl]-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethyl-thiourea CAS Name: 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylthiourea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorobenzyl)-1-ethyl-thiourea Formula: C21H25Cl2N3S MolecularWeight: 422.4143

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3S/c1-2-26(21(27)24-13-17-8-9-19(22)20(23)12-17)18-10-11-25(15-18)14-16-6-4-3-5-7-16/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,24,27)