1-(3,5-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-(pyrrolidinomethyl)benzyl]thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)CN3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)CN3CCCC3)C

InChI

InChI=1S/C21H27N3S/c1-16-11-17(2)13-20(12-16)23-21(25)22-14-18-5-7-19(8-6-18)15-24-9-3-4-10-24/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H2,22,23,25)