N-[4-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCCNC(=O)C3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCCNC(=O)C3=CC=CS3)Cl)OC1

InChI

InChI=1S/C18H19ClN2O4S/c19-12-10-14-15(25-8-3-7-24-14)11-13(12)21-17(22)5-1-6-20-18(23)16-4-2-9-26-16/h2,4,9-11H,1,3,5-8H2,(H,20,23)(H,21,22)