(E)-3-(1,3-benzodioxol-5-yl)-N-(cycloheptylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(cycloheptylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(cycloheptylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(cycloheptylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(cycloheptylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(cycloheptylthiocarbamoyl)acrylamide Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCC(CC1)NC(=S)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O3S/c21-17(20-18(24)19-14-5-3-1-2-4-6-14)10-8-13-7-9-15-16(11-13)23-12-22-15/h7-11,14H,1-6,12H2,(H2,19,20,21,24)/b10-8+