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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[[2-(1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-methyl-1-(2-pyrrolidinobenzyl)thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=CC=CC=C2N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=CC=CC=C2N3CCCC3)C

InChI

InChI=1S/C21H27N3S/c1-16-10-11-19(14-17(16)2)22-21(25)23(3)15-18-8-4-5-9-20(18)24-12-6-7-13-24/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3,(H,22,25)