N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=CC=C3SCC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=CC=C3SCC(=O)N)Cl)OC1

InChI

InChI=1S/C19H19ClN2O4S/c20-13-8-12(9-15-19(13)26-7-3-6-25-15)10-18(24)22-14-4-1-2-5-16(14)27-11-17(21)23/h1-2,4-5,8-9H,3,6-7,10-11H2,(H2,21,23)(H,22,24)