4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamothioylamino]butanoic acid Openeye Name: 4-[[(E)-(4-dimethylaminophenyl)methyleneamino]carbamothioylamino]butanoic acid CAS Name: 4-[[[(2E)-2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamothioylamino]butanoic acid Traditional Name: 4-[[(E)-[4-(dimethylamino)benzylidene]amino]thiocarbamoylamino]butyric acid Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=S)NCCCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NCCCC(=O)O

InChI

InChI=1S/C14H20N4O2S/c1-18(2)12-7-5-11(6-8-12)10-16-17-14(21)15-9-3-4-13(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)(H2,15,17,21)/b16-10+