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

Systemtic Name: 3-[(2S)-butan-2-yl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[(1S)-1-methylpropyl]-1-(4-pyridylmethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 3-[(2S)-butan-2-yl]-1-[[(2R)-2-oxolanyl]methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[(2S)-butan-2-yl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[(1S)-1-methylpropyl]-1-(4-pyridylmethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CC1CCCO1)CC2=CC=NC=C2

Isomeric SMILES

CC[C@H](C)NC(=S)N(C[C@H]1CCCO1)CC2=CC=NC=C2

InChI

InChI=1S/C16H25N3OS/c1-3-13(2)18-16(21)19(12-15-5-4-10-20-15)11-14-6-8-17-9-7-14/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,18,21)/t13-,15+/m0/s1