N-[(4-isothiocyanatophenyl)methyl]-2-methyl-prop-2-enamide

Systemtic Name: N-[(4-isothiocyanatophenyl)methyl]-2-methyl-prop-2-enamide Openeye Name: N-[(4-isothiocyanatophenyl)methyl]-2-methyl-prop-2-enamide CAS Name: N-[(4-isothiocyanatophenyl)methyl]-2-methyl-2-propenamide IUPAC Name: N-[(4-isothiocyanatophenyl)methyl]-2-methylprop-2-enamide Traditional Name: N-(4-isothiocyanatobenzyl)-2-methyl-acrylamide Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(=C)C(=O)NCC1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C12H12N2OS/c1-9(2)12(15)13-7-10-3-5-11(6-4-10)14-8-16/h3-6H,1,7H2,2H3,(H,13,15)