1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenyl-thiourea hydrochloride

Systemtic Name: 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenyl-thiourea hydrochloride Openeye Name: 1-[(E)-N'-[(E)-1-methylpropylideneamino]carbamimidoyl]-1-phenyl-thiourea hydrochloride CAS Name: 1-[(E)-amino-[(E)-butan-2-ylidenehydrazinylidene]methyl]-1-phenylthiourea hydrochloride IUPAC Name: 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenylthiourea hydrochloride Traditional Name: 1-[(E)-N'-[(E)-1-methylpropylideneamino]amidino]-1-phenyl-thiourea hydrochloride Formula: C12H18ClN5S MolecularWeight: 299.82282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN=C(N)N(C1=CC=CC=C1)C(=S)N)C.Cl

Isomeric SMILES

CC/C(=N/N=C(\N)/N(C1=CC=CC=C1)C(=S)N)/C.Cl

InChI

InChI=1S/C12H17N5S.ClH/c1-3-9(2)15-16-11(13)17(12(14)18)10-7-5-4-6-8-10;/h4-8H,3H2,1-2H3,(H2,13,16)(H2,14,18);1H/b15-9+;