N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O2S2/c24-17(19-9-4-12-26-19)10-11-20(25)22-15-6-3-5-14(13-15)21-23-16-7-1-2-8-18(16)27-21/h1-9,12-13H,10-11H2,(H,22,25)