2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H22N2O4S/c1-13-4-6-16(14(2)10-13)21-20(24)22-19(23)12-27-15-5-7-17-18(11-15)26-9-3-8-25-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,21,22,23,24)