ethanoic acid; 3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine

Systemtic Name: ethanoic acid; 3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine Openeye Name: acetic acid; 3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine CAS Name: acetic acid; 3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine IUPAC Name: acetic acid; 3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine Traditional Name: acetic acid; (3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl)amine Formula: C10H20N2O2S MolecularWeight: 232.343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CSCCC(=N1)N.CC(=O)O

Isomeric SMILES

CCCC1CSCCC(=N1)N.CC(=O)O

InChI

InChI=1S/C8H16N2S.C2H4O2/c1-2-3-7-6-11-5-4-8(9)10-7;1-2(3)4/h7H,2-6H2,1H3,(H2,9,10);1H3,(H,3,4)