4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butyramide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c27-21(11-6-12-22-25-19-9-4-5-10-20(19)28-22)23-14-13-17-15-24-26(16-17)18-7-2-1-3-8-18/h1-5,7-10,15-16H,6,11-14H2,(H,23,27)