4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methyl-benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methyl-benzamide Openeye Name: 4-(isothiochroman-4-ylamino)-3-methyl-benzamide CAS Name: 4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-3-methylbenzamide IUPAC Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methylbenzamide Traditional Name: 4-(isothiochroman-4-ylamino)-3-methyl-benzamide Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)NC2CSCC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)NC2CSCC3=CC=CC=C23

InChI

InChI=1S/C17H18N2OS/c1-11-8-12(17(18)20)6-7-15(11)19-16-10-21-9-13-4-2-3-5-14(13)16/h2-8,16,19H,9-10H2,1H3,(H2,18,20)