2-(1,3-benzothiazol-2-ylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5O2S/c1-13(22-21-23-16-11-7-8-12-17(16)29-21)19(27)24-18-14(2)25(3)26(20(18)28)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,22,23)(H,24,27)