N-[2-[(3,5-diisothiocyanatophenyl)carbamothioylamino]ethyl]ethanamide

Systemtic Name: N-[2-[(3,5-diisothiocyanatophenyl)carbamothioylamino]ethyl]ethanamide Openeye Name: N-[2-[(3,5-diisothiocyanatophenyl)carbamothioylamino]ethyl]acetamide CAS Name: N-[2-[[(3,5-diisothiocyanatoanilino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: N-[2-[(3,5-diisothiocyanatophenyl)carbamothioylamino]ethyl]acetamide Traditional Name: N-[2-[(3,5-diisothiocyanatophenyl)thiocarbamoylamino]ethyl]acetamide Formula: C13H13N5OS3 MolecularWeight: 351.47022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=S)NC1=CC(=CC(=C1)N=C=S)N=C=S

Isomeric SMILES

CC(=O)NCCNC(=S)NC1=CC(=CC(=C1)N=C=S)N=C=S

InChI

InChI=1S/C13H13N5OS3/c1-9(19)14-2-3-15-13(22)18-12-5-10(16-7-20)4-11(6-12)17-8-21/h4-6H,2-3H2,1H3,(H,14,19)(H2,15,18,22)