2,4-bis(phenylcarbamothioylamino)butanoic acid

Systemtic Name: 2,4-bis(phenylcarbamothioylamino)butanoic acid Openeye Name: 2,4-bis(phenylcarbamothioylamino)butanoic acid CAS Name: 2,4-bis[[anilino(sulfanylidene)methyl]amino]butanoic acid IUPAC Name: 2,4-bis(phenylcarbamothioylamino)butanoic acid Traditional Name: 2,4-bis(phenylthiocarbamoylamino)butyric acid Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCC(C(=O)O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCC(C(=O)O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H20N4O2S2/c23-16(24)15(22-18(26)21-14-9-5-2-6-10-14)11-12-19-17(25)20-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,23,24)(H2,19,20,25)(H2,21,22,26)