N-[[4-(diethylaminomethyl)phenyl]methyl]thian-4-amine

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]thian-4-amine Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]tetrahydrothiopyran-4-amine CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-thianamine IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]thian-4-amine Traditional Name: diethyl-[4-[(tetrahydrothiopyran-4-ylamino)methyl]benzyl]amine Formula: C17H28N2S MolecularWeight: 292.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC2CCSCC2

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC2CCSCC2

InChI

InChI=1S/C17H28N2S/c1-3-19(4-2)14-16-7-5-15(6-8-16)13-18-17-9-11-20-12-10-17/h5-8,17-18H,3-4,9-14H2,1-2H3