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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(C)CC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(C)CC2=CC=CC=C2N3CCCC3

InChI

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