2-methyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: 2-methyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 2-methyl-N-[3-(2-thenoylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S/c1-13-19(27-17-9-3-2-8-16(17)26-13)21(25)23-15-7-4-6-14(12-15)22-20(24)18-10-5-11-28-18/h2-13,19H,1H3,(H,22,24)(H,23,25)