methyl 4-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]butanoate

Systemtic Name: methyl 4-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]butanoate Openeye Name: methyl 4-(N-(3-amino-3-thioxo-propyl)anilino)butanoate CAS Name: 4-(N-(3-amino-3-sulfanylidenepropyl)anilino)butanoic acid methyl ester IUPAC Name: methyl 4-(N-(3-amino-3-sulfanylidenepropyl)anilino)butanoate Traditional Name: 4-(N-(3-amino-3-thioxo-propyl)anilino)butyric acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCC(=S)N)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCN(CCC(=S)N)C1=CC=CC=C1

InChI

InChI=1S/C14H20N2O2S/c1-18-14(17)8-5-10-16(11-9-13(15)19)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H2,15,19)