3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(3-guanidinobenzoyl)amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(3-guanidinobenzoyl)amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H21N5O3S/c23-22(24)27-16-6-1-4-14(10-16)21(30)26-17-7-2-8-18(11-17)31-19(12-20(28)29)15-5-3-9-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)