N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O2S/c1-13-17(21(28)24-14(2)23-13)11-12-20(27)25-16-9-7-15(8-10-16)22-26-18-5-3-4-6-19(18)29-22/h3-10H,11-12H2,1-2H3,(H,25,27)(H,23,24,28)