N-octylmethanamide; 3-[(7-phenylazanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: N-octylmethanamide; 3-[(7-phenylazanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(7-anilino-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid; N-octylformamide CAS Name: 3-[(7-anilino-1,3-benzothiazol-2-yl)thio]propanoic acid; N-octylformamide IUPAC Name: 3-[(7-anilino-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid; N-octylformamide Traditional Name: 3-[(7-anilino-1,3-benzothiazol-2-yl)thio]propionic acid; N-octylformamide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC=O.C1=CC=C(C=C1)NC2=CC=CC3=C2SC(=N3)SCCC(=O)O

Isomeric SMILES

CCCCCCCCNC=O.C1=CC=C(C=C1)NC2=CC=CC3=C2SC(=N3)SCCC(=O)O

InChI

InChI=1S/C16H14N2O2S2.C9H19NO/c19-14(20)9-10-21-16-18-13-8-4-7-12(15(13)22-16)17-11-5-2-1-3-6-11;1-2-3-4-5-6-7-8-10-9-11/h1-8,17H,9-10H2,(H,19,20);9H,2-8H2,1H3,(H,10,11)