benzenethiol; hexanediamide

Systemtic Name: benzenethiol; hexanediamide Openeye Name: benzenethiol; hexanediamide CAS Name: benzenethiol; hexanediamide IUPAC Name: benzenethiol; hexanediamide Traditional Name: adipamide; benzenethiol Formula: C12H18N2O2S MolecularWeight: 254.34852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S.C(CCC(=O)N)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S.C(CCC(=O)N)CC(=O)N

InChI

InChI=1S/C6H12N2O2.C6H6S/c7-5(9)3-1-2-4-6(8)10;7-6-4-2-1-3-5-6/h1-4H2,(H2,7,9)(H2,8,10);1-5,7H