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

Systemtic Name: 3-(3-ethylphenyl)-1-methyl-1-[(4-piperidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(3-ethylphenyl)-1-methyl-1-[[4-(1-piperidyl)phenyl]methyl]thiourea CAS Name: 3-(3-ethylphenyl)-1-methyl-1-[[4-(1-piperidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(3-ethylphenyl)-1-methyl-1-[(4-piperidin-1-ylphenyl)methyl]thiourea Traditional Name: 3-(3-ethylphenyl)-1-methyl-1-(4-piperidinobenzyl)thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(C)CC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(C)CC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C22H29N3S/c1-3-18-8-7-9-20(16-18)23-22(26)24(2)17-19-10-12-21(13-11-19)25-14-5-4-6-15-25/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,23,26)