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

Systemtic Name: [5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Openeye Name: [5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-oxo-prop-1-enyl]-2-furyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-oxoprop-1-enyl]-2-furanyl] ester IUPAC Name: [5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-oxoprop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-keto-prop-1-enyl]-2-furyl] ester Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C(=CC2=CC=C(O2)SC(=S)N3CCOCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)/C(=C/C2=CC=C(O2)SC(=S)N3CCOCC3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S2/c31-25(20-9-5-4-6-10-20)29-23(26(32)28-21-11-7-2-1-3-8-12-21)19-22-13-14-24(34-22)36-27(35)30-15-17-33-18-16-30/h4-6,9-10,13-14,19,21H,1-3,7-8,11-12,15-18H2,(H,28,32)(H,29,31)/b23-19-