2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21ClN2O3S/c1-2-8-22(12-15-5-7-18(20)26-15)13-19(23)21-14-4-6-16-17(11-14)25-10-3-9-24-16/h2,4-7,11H,1,3,8-10,12-13H2,(H,21,23)