methyl N-(butylcarbamoyl)-N-[(4-cyanophenyl)sulfanylcarbamoyl]carbamimidate

Systemtic Name: methyl N-(butylcarbamoyl)-N-[(4-cyanophenyl)sulfanylcarbamoyl]carbamimidate Openeye Name: 1-(butylcarbamoyl)-3-(4-cyanophenyl)sulfanyl-1-(methoxycarbonimidoyl)urea CAS Name: N-[butylamino(oxo)methyl]-N-[[[(4-cyanophenyl)thio]amino]-oxomethyl]carbamimidic acid methyl ester IUPAC Name: methyl N-(butylcarbamoyl)-N-[(4-cyanophenyl)sulfanylcarbamoyl]carbamimidate Traditional Name: 1-(butylcarbamoyl)-3-[(4-cyanophenyl)thio]-1-(methoxycarbonimidoyl)urea Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C(=N)OC)C(=O)NSC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCNC(=O)N(C(=N)OC)C(=O)NSC1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H19N5O3S/c1-3-4-9-18-14(21)20(13(17)23-2)15(22)19-24-12-7-5-11(10-16)6-8-12/h5-8,17H,3-4,9H2,1-2H3,(H,18,21)(H,19,22)