(phenylmethyl) N-[(Z)-4-oxidanylidenepentan-2-ylideneamino]carbamodithioate

Systemtic Name: (phenylmethyl) N-[(Z)-4-oxidanylidenepentan-2-ylideneamino]carbamodithioate Openeye Name: benzyl N-[(Z)-(1-methyl-3-oxo-butylidene)amino]carbamodithioate CAS Name: N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioate Traditional Name: N-[(Z)-(3-keto-1-methyl-butylidene)amino]carbamodithioic acid benzyl ester Formula: C13H16N2OS2 MolecularWeight: 280.40894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)SCC1=CC=CC=C1)CC(=O)C

Isomeric SMILES

C/C(=N/NC(=S)SCC1=CC=CC=C1)/CC(=O)C

InChI

InChI=1S/C13H16N2OS2/c1-10(8-11(2)16)14-15-13(17)18-9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,17)/b14-10-