3-[1,3-benzothiazol-2-yl(phenyl)amino]propanethioamide

Systemtic Name: 3-[1,3-benzothiazol-2-yl(phenyl)amino]propanethioamide Openeye Name: 3-[N-(1,3-benzothiazol-2-yl)anilino]propanethioamide CAS Name: 3-[N-(1,3-benzothiazol-2-yl)anilino]propanethioamide IUPAC Name: 3-[N-(1,3-benzothiazol-2-yl)anilino]propanethioamide Traditional Name: 3-[N-(1,3-benzothiazol-2-yl)anilino]thiopropionamide Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15N3S2/c17-15(20)10-11-19(12-6-2-1-3-7-12)16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H2,17,20)