3-pentyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-pentyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-benzyl-3-pentyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-pentyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-benzyl-3-pentyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-amyl-1-benzyl-1-(4-pyridylmethyl)thiourea Formula: C19H25N3S MolecularWeight: 327.4869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=NC=C2

Isomeric SMILES

CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=NC=C2

InChI

InChI=1S/C19H25N3S/c1-2-3-7-12-21-19(23)22(15-17-8-5-4-6-9-17)16-18-10-13-20-14-11-18/h4-6,8-11,13-14H,2-3,7,12,15-16H2,1H3,(H,21,23)