(phenylmethyl) N'-(propan-2-ylideneamino)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(propan-2-ylideneamino)carbamimidothioate Openeye Name: 2-benzyl-3-(isopropylideneamino)isothiourea CAS Name: N'-(propan-2-ylideneamino)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(propan-2-ylideneamino)carbamimidothioate Traditional Name: 2-benzyl-3-(isopropylideneamino)isothiourea Formula: C11H15N3S MolecularWeight: 221.3219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SCC1=CC=CC=C1)C

Isomeric SMILES

CC(=N/N=C(/N)\SCC1=CC=CC=C1)C

InChI

InChI=1S/C11H15N3S/c1-9(2)13-14-11(12)15-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14)