N-decylmethanamide; 3-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: N-decylmethanamide; 3-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Openeye Name: N-decylformamide; 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid CAS Name: N-decylformamide; 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]propanoic acid IUPAC Name: N-decylformamide; 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Traditional Name: N-decylformamide; 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]propionic acid Formula: C33H41N3O3S2 MolecularWeight: 591.82694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC=O.C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCNC=O.C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)O

InChI

InChI=1S/C22H18N2O2S2.C11H23NO/c25-21(26)13-14-27-22-23-19-12-11-18(15-20(19)28-22)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-3-4-5-6-7-8-9-10-12-11-13/h1-12,15H,13-14H2,(H,25,26);11H,2-10H2,1H3,(H,12,13)