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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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