3-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-sulfanylidene-propanamide

Systemtic Name: 3-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-sulfanylidene-propanamide Openeye Name: 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-thioxo-propanamide CAS Name: 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-sulfanylidenepropanamide IUPAC Name: 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-sulfanylidenepropanamide Traditional Name: 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-thioxo-propionamide Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CC(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CC(=S)N)OC1

InChI

InChI=1S/C12H14N2O3S/c13-11(18)7-12(15)14-8-2-3-9-10(6-8)17-5-1-4-16-9/h2-3,6H,1,4-5,7H2,(H2,13,18)(H,14,15)