N-[3-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenyl]butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenyl]butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenyl]butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5-(1-oxobutylamino)phenyl]butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenyl]butanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-5-butyramido-phenyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCC

InChI

InChI=1S/C21H23N3O2S/c1-3-7-19(25)22-15-11-14(12-16(13-15)23-20(26)8-4-2)21-24-17-9-5-6-10-18(17)27-21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,25)(H,23,26)