1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-3-(2,4,5-trimethylphenyl)thiourea

Systemtic Name: 1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-3-(2,4,5-trimethylphenyl)thiourea Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2,4,5-trimethylphenyl)thiourea CAS Name: 1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]-3-(2,4,5-trimethylphenyl)thiourea IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2,4,5-trimethylphenyl)thiourea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2,4,5-trimethylphenyl)thiourea Formula: C23H31N3S MolecularWeight: 381.57734

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3S/c1-5-26(23(27)24-22-14-18(3)17(2)13-19(22)4)21-11-12-25(16-21)15-20-9-7-6-8-10-20/h6-10,13-14,21H,5,11-12,15-16H2,1-4H3,(H,24,27)