3-[(2R)-butan-2-yl]-1-[(4-ethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-[(2R)-butan-2-yl]-1-[(4-ethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-ethoxyphenyl)methyl]-3-[(1R)-1-methylpropyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-[(2R)-butan-2-yl]-1-[(4-ethoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-[(2R)-butan-2-yl]-1-[(4-ethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-ethoxybenzyl)-3-[(1R)-1-methylpropyl]-1-(3-pyridylmethyl)thiourea Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CC1=CC=C(C=C1)OCC)CC2=CN=CC=C2

Isomeric SMILES

CC[C@@H](C)NC(=S)N(CC1=CC=C(C=C1)OCC)CC2=CN=CC=C2

InChI

InChI=1S/C20H27N3OS/c1-4-16(3)22-20(25)23(15-18-7-6-12-21-13-18)14-17-8-10-19(11-9-17)24-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,25)/t16-/m1/s1