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

Systemtic Name: methyl N'-(phenylmethyl)-N-(propan-2-ylideneamino)carbamimidothioate Openeye Name: 3-benzyl-1-(isopropylideneamino)-2-methyl-isothiourea CAS Name: N'-(phenylmethyl)-N-(propan-2-ylideneamino)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-(propan-2-ylideneamino)carbamimidothioate Traditional Name: 3-benzyl-1-(isopropylideneamino)-2-methyl-isothiourea Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NCC1=CC=CC=C1)SC)C

Isomeric SMILES

CC(=NNC(=NCC1=CC=CC=C1)SC)C

InChI

InChI=1S/C12H17N3S/c1-10(2)14-15-12(16-3)13-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,13,15)