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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O2S/c1-11-14(19(26)22-12(2)21-11)8-10-17(25)23-20-24-18-15-6-4-3-5-13(15)7-9-16(18)27-20/h3-7,9H,8,10H2,1-2H3,(H,21,22,26)(H,23,24,25)