N-(2-dimethylaminoethyl)-3,5-diisothiocyanato-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3,5-diisothiocyanato-benzamide Openeye Name: N-(2-dimethylaminoethyl)-3,5-diisothiocyanato-benzamide CAS Name: N-(2-dimethylaminoethyl)-3,5-diisothiocyanatobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-3,5-diisothiocyanatobenzamide Traditional Name: N-(2-dimethylaminoethyl)-3,5-diisothiocyanato-benzamide Formula: C13H14N4OS2 MolecularWeight: 306.40646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC(=C1)N=C=S)N=C=S

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC(=C1)N=C=S)N=C=S

InChI

InChI=1S/C13H14N4OS2/c1-17(2)4-3-14-13(18)10-5-11(15-8-19)7-12(6-10)16-9-20/h5-7H,3-4H2,1-2H3,(H,14,18)