4-[(2-methoxy-5-methyl-phenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-[[(2S)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NC[C@@H]3CCCO3

InChI

InChI=1S/C19H29N3O2S/c1-15-5-6-18(23-2)16(12-15)14-21-7-9-22(10-8-21)19(25)20-13-17-4-3-11-24-17/h5-6,12,17H,3-4,7-11,13-14H2,1-2H3,(H,20,25)/t17-/m0/s1