methyl N'-[(Z)-4-oxidanylidenepentan-2-ylideneamino]carbamimidothioate

Systemtic Name: methyl N'-[(Z)-4-oxidanylidenepentan-2-ylideneamino]carbamimidothioate Openeye Name: 2-methyl-3-[(Z)-(1-methyl-3-oxo-butylidene)amino]isothiourea CAS Name: N'-[(Z)-4-oxopentan-2-ylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(Z)-4-oxopentan-2-ylideneamino]carbamimidothioate Traditional Name: 3-[(Z)-(3-keto-1-methyl-butylidene)amino]-2-methyl-isothiourea Formula: C7H13N3OS MolecularWeight: 187.26262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SC)CC(=O)C

Isomeric SMILES

C/C(=N/N=C(N)SC)/CC(=O)C

InChI

InChI=1S/C7H13N3OS/c1-5(4-6(2)11)9-10-7(8)12-3/h4H2,1-3H3,(H2,8,10)/b9-5-