N-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(2-phenylthiazol-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[1-oxo-2-(2-phenyl-4-thiazolyl)ethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(2-phenylthiazol-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-2-6-19(27)26-22-25-17-10-9-15(11-18(17)30-22)23-20(28)12-16-13-29-21(24-16)14-7-4-3-5-8-14/h3-5,7-11,13H,2,6,12H2,1H3,(H,23,28)(H,25,26,27)