7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine

Systemtic Name: 7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine Openeye Name: 7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine CAS Name: 7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine IUPAC Name: 7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine Traditional Name: [7-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]amine Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NCCS2)N

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NCCS2)N

InChI

InChI=1S/C12H16N2OS/c1-15-10-4-2-9(3-5-10)11-8-12(13)14-6-7-16-11/h2-5,11H,6-8H2,1H3,(H2,13,14)