N-[2-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxidanylidene-ethyl]-3-ethylsulfanyl-propanamide

Systemtic Name: N-[2-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxidanylidene-ethyl]-3-ethylsulfanyl-propanamide Openeye Name: N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxo-ethyl]-3-ethylsulfanyl-propanamide CAS Name: N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]-3-(ethylthio)propanamide IUPAC Name: N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]-3-ethylsulfanylpropanamide Traditional Name: N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-keto-ethyl]-3-(ethylthio)propionamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(=O)NCC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCSCCC(=O)NCC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-2-27-10-9-19(24)22-12-20(25)23-13-14-5-3-4-6-17(14)26-18-8-7-15(21)11-16(18)23/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,24)