N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Traditional Name: N-(4-ethylbenzyl)-4-keto-8-methoxy-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CN=C3N(C2=O)C4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CN=C3N(C2=O)C4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-13-4-6-14(7-5-13)11-22-19(25)16-12-23-21-24(20(16)26)17-9-8-15(27-2)10-18(17)28-21/h4-10,12H,3,11H2,1-2H3,(H,22,25)