3-[bis(azanyl)methylideneamino]-4-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(phenylmethylsulfanyl)benzoic acid Openeye Name: 4-benzylsulfanyl-3-guanidino-benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(phenylmethylthio)benzoic acid IUPAC Name: 4-benzylsulfanyl-3-(diaminomethylideneamino)benzoic acid Traditional Name: 4-(benzylthio)-3-guanidino-benzoic acid Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C15H15N3O2S/c16-15(17)18-12-8-11(14(19)20)6-7-13(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H4,16,17,18)