S-[(dicyclohexylamino)methyl] 2-phenylethanethioate

Systemtic Name: S-[(dicyclohexylamino)methyl] 2-phenylethanethioate Openeye Name: S-[(dicyclohexylamino)methyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[(dicyclohexylamino)methyl] ester IUPAC Name: S-[(dicyclohexylamino)methyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[(dicyclohexylamino)methyl] ester Formula: C21H31NOS MolecularWeight: 345.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CSC(=O)CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C1CCC(CC1)N(CSC(=O)CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H31NOS/c23-21(16-18-10-4-1-5-11-18)24-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2