2-azanylethanoyl-[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]-phenyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)azanium

Systemtic Name: 2-azanylethanoyl-[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]-phenyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)azanium Openeye Name: (2-aminoacetyl)-[2-amino-3-(4-benzyloxyphenyl)propanoyl]-phenyl-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)ammonium CAS Name: (2-amino-1-oxoethyl)-[2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]-phenyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)ammonium IUPAC Name: (2-aminoacetyl)-[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]-phenyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)azanium Traditional Name: [2-amino-3-(4-benzoxyphenyl)propanoyl]-glycyl-phenyl-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)ammonium Formula: C26H26N5O3S2+ MolecularWeight: 520.64634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)[N+](C3=CC=CC=C3)(C4=NNC(=S)S4)C(=O)CN)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)[N+](C3=CC=CC=C3)(C4=NNC(=S)S4)C(=O)CN)N

InChI

InChI=1S/C26H25N5O3S2/c27-16-23(32)31(20-9-5-2-6-10-20,25-29-30-26(35)36-25)24(33)22(28)15-18-11-13-21(14-12-18)34-17-19-7-3-1-4-8-19/h1-14,22H,15-17,27-28H2/p+1