ethyl 4-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]butanoate

Systemtic Name: ethyl 4-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]butanoate Openeye Name: ethyl 4-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]butanoate CAS Name: 4-[4-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]butanoate Traditional Name: 4-[4-[(E)-C-methyl-N-thioureido-carbonimidoyl]phenyl]butyric acid ethyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=C(C=C1)C(=NNC(=S)N)C

Isomeric SMILES

CCOC(=O)CCCC1=CC=C(C=C1)/C(=N/NC(=S)N)/C

InChI

InChI=1S/C15H21N3O2S/c1-3-20-14(19)6-4-5-12-7-9-13(10-8-12)11(2)17-18-15(16)21/h7-10H,3-6H2,1-2H3,(H3,16,18,21)/b17-11+