2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19N3O5S2/c1-13(31-16-6-7-18-19(11-16)29-9-3-8-28-18)20(25)23-21-22-17(12-30-21)14-4-2-5-15(10-14)24(26)27/h2,4-7,10-13H,3,8-9H2,1H3,(H,22,23,25)