[5-[(Z)-2-benzamido-3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate

Systemtic Name: [5-[(Z)-2-benzamido-3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Openeye Name: [5-[(Z)-2-benzamido-3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-prop-1-enyl]-2-furyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [5-[(Z)-2-benzamido-3-(1,3-benzodioxol-5-ylmethylamino)-3-oxoprop-1-enyl]-2-furanyl] ester IUPAC Name: [5-[(Z)-2-benzamido-3-(1,3-benzodioxol-5-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [5-[(Z)-2-benzamido-3-keto-3-(piperonylamino)prop-1-enyl]-2-furyl] ester Formula: C27H25N3O6S2 MolecularWeight: 551.6339

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)SC2=CC=C(O2)C=C(C(=O)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=S)SC2=CC=C(O2)/C=C(/C(=O)NCC3=CC4=C(C=C3)OCO4)\NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O6S2/c31-25(19-4-2-1-3-5-19)29-21(26(32)28-16-18-6-8-22-23(14-18)35-17-34-22)15-20-7-9-24(36-20)38-27(37)30-10-12-33-13-11-30/h1-9,14-15H,10-13,16-17H2,(H,28,32)(H,29,31)/b21-15-