1-(2,3-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[4-(pyrrolidinomethyl)benzyl]thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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