N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-1-oxo-isothiochromene-3-carboxamide CAS Name: N-[5-[(4-ethylphenyl)methyl]-2-thiazolyl]-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisothiochromene-3-carboxamide Traditional Name: N-[5-(4-ethylbenzyl)thiazol-2-yl]-1-keto-isothiochromene-3-carboxamide Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C22H18N2O2S2/c1-2-14-7-9-15(10-8-14)11-17-13-23-22(27-17)24-20(25)19-12-16-5-3-4-6-18(16)21(26)28-19/h3-10,12-13H,2,11H2,1H3,(H,23,24,25)