3-chloranyl-N-[4-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-butyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-butyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[4-(2-furylmethylsulfanyl)-2-oxo-butyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[4-(2-furanylmethylthio)-2-oxobutyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[4-(furan-2-ylmethylsulfanyl)-2-oxobutyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-[4-(2-furfurylthio)-2-keto-butyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O4S/c24-17-7-8-22-20(12-17)26(14-16-4-1-2-6-21(16)30-22)23(28)25-13-18(27)9-11-31-15-19-5-3-10-29-19/h1-8,10,12H,9,11,13-15H2,(H,25,28)