4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butanoic acid

Systemtic Name: 4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[bis(2-thiocyanatoethyl)amino]phenyl]butyric acid Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)N(CCSC#N)CCSC#N

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)N(CCSC#N)CCSC#N

InChI

InChI=1S/C16H19N3O2S2/c17-12-22-10-8-19(9-11-23-13-18)15-6-4-14(5-7-15)2-1-3-16(20)21/h4-7H,1-3,8-11H2,(H,20,21)