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

Systemtic Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-[5-(m-tolylmethyl)thiazol-2-yl]-1-oxo-isothiochromene-3-carboxamide CAS Name: N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisothiochromene-3-carboxamide Traditional Name: 1-keto-N-[5-(3-methylbenzyl)thiazol-2-yl]isothiochromene-3-carboxamide Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C21H16N2O2S2/c1-13-5-4-6-14(9-13)10-16-12-22-21(26-16)23-19(24)18-11-15-7-2-3-8-17(15)20(25)27-18/h2-9,11-12H,10H2,1H3,(H,22,23,24)