N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-phenyl-propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H22N2O3S/c1-16(21(24)23(12-5-11-22)17-7-3-2-4-8-17)27-18-9-10-19-20(15-18)26-14-6-13-25-19/h2-4,7-10,15-16H,5-6,12-14H2,1H3