1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3OS/c1-15-4-5-18(12-16(15)2)23-21(26)22-13-17-10-11-24(14-17)19-6-8-20(25-3)9-7-19/h4-9,12,17H,10-11,13-14H2,1-3H3,(H2,22,23,26)