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

Systemtic Name: N-(2-acetamidoethyl)-3,5-diisothiocyanato-benzamide Openeye Name: N-(2-acetamidoethyl)-3,5-diisothiocyanato-benzamide CAS Name: N-(2-acetamidoethyl)-3,5-diisothiocyanatobenzamide IUPAC Name: N-(2-acetamidoethyl)-3,5-diisothiocyanatobenzamide Traditional Name: N-(2-acetamidoethyl)-3,5-diisothiocyanato-benzamide Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S2/c1-9(18)14-2-3-15-13(19)10-4-11(16-7-20)6-12(5-10)17-8-21/h4-6H,2-3H2,1H3,(H,14,18)(H,15,19)