3-phenethyl-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-phenethyl-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-phenethyl-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-phenethyl-1-(2-pyridinylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-phenethyl-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-phenethyl-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H22N4S/c26-21(24-14-11-18-7-2-1-3-8-18)25(16-19-9-6-12-22-15-19)17-20-10-4-5-13-23-20/h1-10,12-13,15H,11,14,16-17H2,(H,24,26)