N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-methylthiazol-2-yl)thio]acetamide Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H17N3O4S2/c1-10-8-24-16(17-10)25-9-14(20)19-15(21)18-11-3-4-12-13(7-11)23-6-2-5-22-12/h3-4,7-8H,2,5-6,9H2,1H3,(H2,18,19,20,21)