2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N5OS/c1-14(23-20-24-17-9-5-6-10-18(17)27-20)19(26)21-11-15-12-22-25(13-15)16-7-3-2-4-8-16/h2-10,12-14H,11H2,1H3,(H,21,26)(H,23,24)