9-methyl-N-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: 9-methyl-N-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 9-methyl-N-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 9-methyl-N-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 9-methyl-N-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[4-(methylthio)phenyl]amine Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H21NOS/c1-13-5-3-6-16-17(7-4-12-20-18(13)16)19-14-8-10-15(21-2)11-9-14/h3,5-6,8-11,17,19H,4,7,12H2,1-2H3