N-methyl-N-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

Systemtic Name: N-methyl-N-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Openeye Name: N-methyl-N-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine CAS Name: N-methyl-N-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine IUPAC Name: N-methyl-N-prop-2-ynyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Traditional Name: methyl-propargyl-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)amine Formula: C14H17NS MolecularWeight: 231.35648

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)C1CCCSC2=CC=CC=C12

Isomeric SMILES

CN(CC#C)C1CCCSC2=CC=CC=C12

InChI

InChI=1S/C14H17NS/c1-3-10-15(2)13-8-6-11-16-14-9-5-4-7-12(13)14/h1,4-5,7,9,13H,6,8,10-11H2,2H3