6-chloranyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(thiophene-2-carbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(thiophene-2-carbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(2-thenoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl)OC1

InChI

InChI=1S/C21H17ClN2O4S/c22-16-10-13(11-17-19(16)28-8-3-7-27-17)20(25)23-14-4-1-5-15(12-14)24-21(26)18-6-2-9-29-18/h1-2,4-6,9-12H,3,7-8H2,(H,23,25)(H,24,26)