N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-3-chloro-benzothiophene-2-carboxamide Formula: C20H16ClN3O2S2 MolecularWeight: 429.94294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3O2S2/c1-2-5-16(25)24-20-23-13-9-8-11(10-15(13)28-20)22-19(26)18-17(21)12-6-3-4-7-14(12)27-18/h3-4,6-10H,2,5H2,1H3,(H,22,26)(H,23,24,25)