3-(4-chloranyl-2-methyl-phenyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea

Systemtic Name: 3-(4-chloranyl-2-methyl-phenyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-3-(4-chloro-2-methyl-phenyl)-1-ethyl-thiourea CAS Name: 3-(4-chloro-2-methylphenyl)-1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-3-(4-chloro-2-methylphenyl)-1-ethylthiourea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-3-(4-chloro-2-methyl-phenyl)-1-ethyl-thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3S/c1-3-25(21(26)23-20-10-9-18(22)13-16(20)2)19-11-12-24(15-19)14-17-7-5-4-6-8-17/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,23,26)